Basic information
- Standard SMILES
CC[C@@H](C)NC(=O)C(C)(C)c1ccc(-c2cncc(C#N)c2)cc1- InChIKey
HQEGDNXEDSRMJF-CQSZACIVSA-N- Molecular formula
- C20H23N3O
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.18411237
Names & identifiers
- Preferred name
- (R)-N-sec-butyl-2-(4-(5-cyanopyridin-3-yl)phenyl)-2-methylpropanamide
- IUPAC
- N-[(2R)-butan-2-yl]-2-[4-(5-cyano-3-pyridinyl)phenyl]-2-methylpropanamide
Names & synonyms
SCHEMBL2180815HQEGDNXEDSRMJF-CQSZACIVSA-N(R)-N-sec-butyl-2-(4-(5-cyanopyridin-3-yl)phenyl)-2-methylpropanamide
Database identifiers
- PubChem CID
- 16005195
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 471
Related reactions
1 records
Compound notes
Loading…