2,4,5-Trimethyl-6-oxo-1-phenyl-1,6-dihydro-pyridine-3-carboxylic acid [(S)-cyclobutyl-(3-fluoro-phenyl)-methyl]-amide
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Basic information
- Standard SMILES
Cc1c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)n(-c2ccccc2)c(=O)c1C- InChIKey
NCYVLKDUIRSWRT-DEOSSOPVSA-N- Molecular formula
- C26H27FN2O2
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.20565627
Names & identifiers
- Preferred name
- 2,4,5-Trimethyl-6-oxo-1-phenyl-1,6-dihydro-pyridine-3-carboxylic acid [(S)-cyclobutyl-(3-fluoro-phenyl)-methyl]-amide
- IUPAC
- N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide
Names & synonyms
SCHEMBL1975366NCYVLKDUIRSWRT-DEOSSOPVSA-N2,4,5-Trimethyl-6-oxo-1-phenyl-1,6-dihydro-pyridine-3-carboxylic acid [(S)-cyclobutyl-(3-fluoro-phenyl)-methyl]-amide
Database identifiers
- PubChem CID
- 53239447
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 776
Related reactions
1 records
Compound notes
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