Basic information
- Standard SMILES
CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1cccc(Cc2ccc(F)cc2)n1- InChIKey
UUVJLQSBOAICCA-SFHVURJKSA-N- Molecular formula
- C21H26FN3O2
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.20090524
Names & identifiers
- Preferred name
- 6-(4-Fluoro-benzyl)-pyridine-2-carboxylic acid ((S)-3,3-dimethyl-1-methylcarbamoyl-butyl)-amide
- IUPAC
- N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
Names & synonyms
CHEMBL3934815SCHEMBL14226339UUVJLQSBOAICCA-SFHVURJKSA-NBDBM210594US9290451, 2866-(4-Fluoro-benzyl)-pyridine-2-carboxylic acid ((S)-3,3-dimethyl-1-methylcarbamoyl-butyl)-amide
Database identifiers
- PubChem CID
- 71105692
- ChEMBL
CHEMBL3934815
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 498
Related reactions
2 records
Compound notes
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