Basic information
- Standard SMILES
CC(=O)C(C#N)=Cc1cc2c(NC(=O)c3ccccc3)nccc2o1- InChIKey
GLVPWJMJHVORRE-UHFFFAOYSA-N- Molecular formula
- C19H13N3O3
- Average molar mass
- 331.3 g/mol
- Monoisotopic mass
- 331.09569129
Names & identifiers
- Preferred name
- N-{2-(2-Cyano-3-oxobut-1-en-1-yl)furo[3,2-c]pyridin-4-yl}benzamide
- IUPAC
- N-[2-(2-cyano-3-oxobut-1-enyl)furo[3,2-c]pyridin-4-yl]benzamide
Names & synonyms
SCHEMBL1768972GLVPWJMJHVORRE-UHFFFAOYSA-NN-{2-(2-Cyano-3-oxobut-1-en-1-yl)furo[3,2-c]pyridin-4-yl}benzamide
Database identifiers
- PubChem CID
- 67154537
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 600
Related reactions
7 records
Compound notes
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