Basic information
- Standard SMILES
CNC(=O)c1c[nH]c(C)c(-c2ccnc(C(F)(F)F)c2)c1=O- InChIKey
PQQOQIJZAWTVEA-UHFFFAOYSA-N- Molecular formula
- C14H12F3N3O2
- Average molar mass
- 311.26 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-4-oxo-2'-trifluoromethyl-1,4-dihydro-[3,4']bipyridinyl-5-carboxylic acid methylamide
- IUPAC
- N,6-dimethyl-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridine-3-carboxamide
Names & synonyms
2-Methyl-4-oxo-2'-trifluoromethyl-1,4-dihydro-[3,4']bipyridinyl-5-carboxylic acid methylamideSCHEMBL15485954
Database identifiers
- PubChem CID
- 86711571
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 552
Related reactions
2 records
Compound notes
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