| Canonical Smiles | CCN1CCN(CC1)C(=O)C2=CN=C(C=C2)N |
|---|---|
| IUPAC Name | (6-aminopyridin-3-yl)-(4-ethylpiperazin-1-yl)methanone |
| InChIKey | ZUNLIVVWFDQFJW-UHFFFAOYSA-N |
| INCHI | 1S/C12H18N4O/c1-2-15-5-7-16(8-6-15)12(17)10-3-4-11(13)14-9-10/h3-4,9H,2,5-8H2,1H3,(H2,13,14) |
| Molecular Weight | 234.3 |
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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 | Pyridinecarboxylic acids and derivatives |
| Alternative Parents | N-alkylpiperazines Aminopyridines and derivatives Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid or derivatives - Aminopyridine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Primary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof. |
| External Descriptors | Not available |
| Molecular Weight | 234.300 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 234.148 Da |
| Monoisotopic Mass | 234.148 Da |
| Topological Polar Surface Area | 62.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 263.000 |
| 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 |
