Basic information
- Standard SMILES
N#CCc1ccc(NC(=O)Cc2ccccn2)cc1- InChIKey
NJIWERPQXYZITK-UHFFFAOYSA-N- Molecular formula
- C15H13N3O
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.10586205
Names & identifiers
- Preferred name
- 4'-Cyanomethyl-2-(2-pyridyl)acetanilide
- IUPAC
- N-[4-(cyanomethyl)phenyl]-2-pyridin-2-ylacetamide
Names & synonyms
SCHEMBL6622747NJIWERPQXYZITK-UHFFFAOYSA-N4'-cyanomethyl-2-(2-pyridyl)acetanilide
Database identifiers
- PubChem CID
- 18319871
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Related reactions
2 records
Compound notes
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