Basic information
- Standard SMILES
CCOc1nc(C(=O)NCc2ccccc2C)cc(N)c1C#N- InChIKey
HPTCICNPVKFQBM-UHFFFAOYSA-N- Molecular formula
- C17H18N4O2
- Average molar mass
- 310.35 g/mol
- Monoisotopic mass
- 310.14297583
Names & identifiers
- Preferred name
- 4-amino-5-cyano-6-ethoxy-N-(2-methylbenzyl)pyridine-2-carboxamide
- IUPAC
- 4-amino-5-cyano-6-ethoxy-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
Names & synonyms
SCHEMBL1145099HPTCICNPVKFQBM-UHFFFAOYSA-N4-amino-5-cyano-6-ethoxy-N-(2-methylbenzyl)pyridine-2-carboxamide
Database identifiers
- PubChem CID
- 66920641
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 447
Related reactions
2 records
Compound notes
Loading…