2-methyl-N-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]pyridin-3-yl}propanamide

• ChemBase ID: 225884
• Molecular Formular: C19H18N2O4
• Molecular Mass: 338.35722
• Monoisotopic Mass: 338.12665707
• SMILES: c12oc(=O)cc(c1ccc(c2)Oc1c(NC(=O)C(C)C)cccn1)C
• Canonical SMILES: O=C(C(C)C)Nc1cccnc1Oc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C19H18N2O4/c1-11(2)18(23)21-15-5-4-8-20-19(15)24-13-6-7-14-12(3)9-17(22)25-16(14)10-13/h4-11H,1-3H3,(H,21,23)
• InChIKey: RONDCPXRWIEOFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]pyridin-3-yl}propanamide
• IUPAC Traditional name: 2-methyl-N-{2-[(4-methyl-2-oxochromen-7-yl)oxy]pyridin-3-yl}propanamide

Database IDs

• PubChem SID: 164281794
• PubChem CID: 71691896

CALCULATED PROPERTIES

• Acid pKa: 11.3870735
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4410276
• LogD (pH = 7.4): 3.4410162
• Log P: 3.441059
• Molar Refractivity: 94.2924 cm^3
• Polarizability: 35.54357 Å^3
• Polar Surface Area: 77.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds