N-(2-oxo-2H-chromen-4-yl)pyridine-3-carboxamide

• ChemBase ID: 221606
• Molecular Formular: C15H10N2O3
• Molecular Mass: 266.2515
• Monoisotopic Mass: 266.06914219
• SMILES: c1(cc(=O)oc2c1cccc2)NC(=O)c1cnccc1
• Canonical SMILES: O=c1cc(NC(=O)c2cccnc2)c2c(o1)cccc2
• InChI: InChI=1S/C15H10N2O3/c18-14-8-12(11-5-1-2-6-13(11)20-14)17-15(19)10-4-3-7-16-9-10/h1-9H,(H,17,19)
• InChIKey: UTQPIZZUUMWBRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-oxo-2H-chromen-4-yl)pyridine-3-carboxamide
• IUPAC Traditional name: N-(2-oxochromen-4-yl)pyridine-3-carboxamide

Database IDs

• PubChem SID: 164277516
• PubChem CID: 17714829

CALCULATED PROPERTIES

• Acid pKa: 13.268735
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.84319234
• LogD (pH = 7.4): 0.8479192
• Log P: 0.84798044
• Molar Refractivity: 73.0558 cm^3
• Polarizability: 27.236694 Å^3
• Polar Surface Area: 68.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds