Basic information
- Standard SMILES
COC(=O)c1ccc(C)c(NC(=O)C=Cc2cccnc2)c1- InChIKey
HQGLKDRXVWKBDR-UHFFFAOYSA-N- Molecular formula
- C17H16N2O3
- Average molar mass
- 296.32 g/mol
Names & identifiers
- Preferred name
- 4-Methyl-3-(3-(pyridin-3-yl)acrylamido)benzoic acid methyl ester
- IUPAC
- methyl 4-methyl-3-(3-pyridin-3-ylprop-2-enoylamino)benzoate
Names & synonyms
SCHEMBL2679487HQGLKDRXVWKBDR-UHFFFAOYSA-N4-methyl-3-(3-(pyridin-3-yl)acrylamido)benzoic acid methyl ester
Database identifiers
- PubChem CID
- 67494256
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 422
Related reactions
2 records
Compound notes
Loading…