| Canonical Smiles | C1=CC(=NC=C1CN)C(=O)N |
|---|---|
| IUPAC Name | 5-(aminomethyl)pyridine-2-carboxamide |
| InChIKey | BQWIQQOYKOABHX-UHFFFAOYSA-N |
| INCHI | 1S/C7H9N3O/c8-3-5-1-2-6(7(9)11)10-4-5/h1-2,4H,3,8H2,(H2,9,11) |
| Molecular Weight | 151.17 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxamides |
| Alternative Parents | 2-heteroaryl carboxamides Aralkylamines Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinecarboxamide - 2-heteroaryl carboxamide - Aralkylamine - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide. |
| External Descriptors | Not available |
| Molecular Weight | 151.170 g/mol |
|---|---|
| XLogP3 | -1.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 151.075 Da |
| Monoisotopic Mass | 151.075 Da |
| Topological Polar Surface Area | 82.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 149.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
