Basic information
- Standard SMILES
CNC(=O)c1cn(C(C)c2ccc(C#N)cc2)c(C)c(-c2ccnc(C(F)(F)F)c2)c1=O- InChIKey
BCABHTQYWUTXNV-UHFFFAOYSA-N- Molecular formula
- C23H19F3N4O2
- Average molar mass
- 440.4 g/mol
Names & identifiers
- Preferred name
- 1-[1-(4-Cyano-phenyl)-ethyl]-2-methyl-4-oxo-2'-trifluoromethyl-1,4-dihydro-[3,4']bipyridinyl-5-carboxylic acid methylamide
- IUPAC
- 1-[1-(4-cyanophenyl)ethyl]-N,6-dimethyl-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide
Names & synonyms
1-[1-(4-Cyano-phenyl)-ethyl]-2-methyl-4-oxo-2'-trifluoromethyl-1,4-dihydro-[3,4']bipyridinyl-5-carboxylic acid methylamideSCHEMBL15486739
Database identifiers
- PubChem CID
- 86711542
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 862
Related reactions
1 records
Compound notes
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