Basic information
- Standard SMILES
N#CCC(=O)Nc1ccc(Cc2ccncc2)cc1- InChIKey
MPNZKUAOULGBMC-UHFFFAOYSA-N- Molecular formula
- C15H13N3O
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.10586205
Names & identifiers
- Preferred name
- 2-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
- IUPAC
- 2-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
Names & synonyms
SCHEMBL14660072MPNZKUAOULGBMC-UHFFFAOYSA-N2-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
Database identifiers
- PubChem CID
- 71238766
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 333
Related reactions
2 records
Compound notes
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