SDF/Mol File of 2-(pyridin-3-yl)acetamide (C7H8N2O)
Identification of 2-(pyridin-3-yl)acetamide Chemical Compound
| Chemical Formula | C7H8N2O |
|---|---|
| Molecular Weight | 136.15122 g/mol |
| IUPAC Name | 2-(pyridin-3-yl)acetamide |
| SMILES String | NC(=O)Cc1cccnc1 |
| InChI | InChI=1S/C7H8N2O/c8-7(10)4-6-2-1-3-9-5-6/h1-3,5H,4H2,(H2,8,10) |
| InChIKey | YDHIMEXEGOCNHU-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 2-(pyridin-3-yl)acetamide is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 2-(pyridin-3-yl)acetamide molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying 2-(pyridin-3-yl)acetamide Molecule
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Chemical structure of 2-(pyridin-3-yl)acetamide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 2-(pyridin-3-yl)acetamide is available in chemical structure page of 2-(pyridin-3-yl)acetamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of 2-(pyridin-3-yl)acetamide
The molecular weight of 2-(pyridin-3-yl)acetamide is available in molecular weight page of 2-(pyridin-3-yl)acetamide, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of 2-(pyridin-3-yl)acetamide
The chemical formula of 2-(pyridin-3-yl)acetamide is given in chemical formula page of 2-(pyridin-3-yl)acetamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of 2-(pyridin-3-yl)acetamide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 2-(pyridin-3-yl)acetamide is:
InChI=1S/C7H8N2O/c8-7(10)4-6-2-1-3-9-5-6/h1-3,5H,4H2,(H2,8,10)
It can provide a standard way to encode the molecular information of 2-(pyridin-3-yl)acetamide to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 2-(pyridin-3-yl)acetamide is:
InChIKey=YDHIMEXEGOCNHU-UHFFFAOYSA-N
The InChIKey may allow easier web searches for 2-(pyridin-3-yl)acetamide, but it needs to be linked to the full InChI to get back to the original structure of the 2-(pyridin-3-yl)acetamide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 2-(pyridin-3-yl)acetamide
The 2-(pyridin-3-yl)acetamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 2-(pyridin-3-yl)acetamide including the registry numbers are listed below, if available:
- BBV-38372669
- AR-1C9842
- MFCD08236789
- ANW-52527
- 4754AB
- AMPD00251
- 3-(aminocarbonylmethyl)pyridine
- 2-(3-Pyridinyl)acetamide #
- 3-PYRIDINE ACETAMIDE
- 2-(pyridin-3-yl)acetamid
- 2-(3-Pyridinyl)acetamide
- 2-(3-Pyridyl)acetamide
- 2-pyridin-3-ylacetamide
- pyridine-3-acetamide
- 3-pyridylacetamide
- 2-(pyridine-3-yl)-acetamide
- 3-Pyridineacetamide
- 3724-16-1
2-(pyridin-3-yl)acetamide Identification Summary Frequently Asked Questions (FAQs)
| What’s the 2-(pyridin-3-yl)acetamide formula? |
|---|
| C7H8N2O |
| How many atoms and what elements are included in the 2-(pyridin-3-yl)acetamide molecule? |
| 18 atom(s) - 8 Hydrogen atom(s), 7 Carbon atom(s), 2 Nitrogen atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the 2-(pyridin-3-yl)acetamide structure? |
| 18 bond(s) - 10 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 primary amide(s) (aliphatic), and 1 Pyridine(s) |
| What’s the 2-(pyridin-3-yl)acetamide’s molar mass? |
| 136.15122 g/mol |
| What’s the SMILES structure of 2-(pyridin-3-yl)acetamide? |
| NC(=O)Cc1cccnc1 |
| What’s the InChI code of 2-(pyridin-3-yl)acetamide? |
| InChI=1S/C7H8N2O/c8-7(10)4-6-2-1-3-9-5-6/h1-3,5H,4H2,(H2,8,10) |
| What’s the InChIKey format of 2-(pyridin-3-yl)acetamide? |
| YDHIMEXEGOCNHU-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).