2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide

• ChemBase ID: 212617
• Molecular Formular: C24H20N2O4
• Molecular Mass: 400.4266
• Monoisotopic Mass: 400.14230713
• SMILES: c1(c2c(oc(=O)c1)cc(OC(C(=O)NCc1ncccc1)C)cc2)c1ccccc1
• Canonical SMILES: O=c1oc2cc(ccc2c(c1)c1ccccc1)OC(C(=O)NCc1ccccn1)C
• InChI: InChI=1S/C24H20N2O4/c1-16(24(28)26-15-18-9-5-6-12-25-18)29-19-10-11-20-21(17-7-3-2-4-8-17)14-23(27)30-22(20)13-19/h2-14,16H,15H2,1H3,(H,26,28)
• InChIKey: WNQNTECUIRKYRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide
• IUPAC Traditional name: 2-[(2-oxo-4-phenylchromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide

Database IDs

• PubChem SID: 164268527
• PubChem CID: 4965402

CALCULATED PROPERTIES

• Acid pKa: 12.546298
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0926597
• LogD (pH = 7.4): 3.1104064
• Log P: 3.1106405
• Molar Refractivity: 120.7954 cm^3
• Polarizability: 43.224556 Å^3
• Polar Surface Area: 77.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds