Basic information
- Standard SMILES
CNC(=O)c1cn(C(C)c2ccc(C#N)cc2)c(C)c(Br)c1=O- InChIKey
TVJCOEYUKYMMIF-UHFFFAOYSA-N- Molecular formula
- C17H16BrN3O2
- Average molar mass
- 374.2 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-1-[1-(4-cyano-phenyl)-ethyl]-6-methyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid methylamide
- IUPAC
- 5-bromo-1-[1-(4-cyanophenyl)ethyl]-N,6-dimethyl-4-oxopyridine-3-carboxamide
Names & synonyms
SCHEMBL15486674TVJCOEYUKYMMIF-UHFFFAOYSA-N5-Bromo-1-[1-(4-cyano-phenyl)-ethyl]-6-methyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid methylamide
Database identifiers
- PubChem CID
- 86711537
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 621
Related reactions
3 records
Compound notes
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