Basic information
- CAS
19432-61-2- Standard SMILES
N#CC1C=CN(Cc2ccccc2)C=C1C(N)=O- InChIKey
VALJVTJKCVQXSM-UHFFFAOYSA-N- Molecular formula
- C14H13N3O
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.10586205
Names & identifiers
- Preferred name
- 1-Benzyl-4-cyano-1,4-dihydropyridine-3-carboxamide
- IUPAC
- 1-benzyl-4-cyano-4H-pyridine-3-carboxamide
Names & synonyms
19432-61-21-benzyl-4-cyano-1,4-dihydropyridine-3-carboxamideNSC95188DTXSID10294216NSC-95188
Database identifiers
- CAS
19432-61-2- PubChem CID
- 262016
- DTXSID
DTXSID10294216- Nikkaji
- J293.806E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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