2-methyl-N-{6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]pyridin-3-yl}propanamide

• ChemBase ID: 226187
• Molecular Formular: C19H18N2O4
• Molecular Mass: 338.35722
• Monoisotopic Mass: 338.12665707
• SMILES: c12oc(=O)cc(c1ccc(c2)Oc1ncc(NC(=O)C(C)C)cc1)C
• Canonical SMILES: O=C(C(C)C)Nc1ccc(nc1)Oc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C19H18N2O4/c1-11(2)19(23)21-13-4-7-17(20-10-13)24-14-5-6-15-12(3)8-18(22)25-16(15)9-14/h4-11H,1-3H3,(H,21,23)
• InChIKey: WFBJGXBWUSXLIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-{6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]pyridin-3-yl}propanamide
• IUPAC Traditional name: 2-methyl-N-{6-[(4-methyl-2-oxochromen-7-yl)oxy]pyridin-3-yl}propanamide

Database IDs

• PubChem SID: 164282097
• PubChem CID: 71692154

CALCULATED PROPERTIES

• Acid pKa: 12.913188
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4410436
• LogD (pH = 7.4): 3.4410574
• Log P: 3.441059
• Molar Refractivity: 94.2924 cm^3
• Polarizability: 35.54209 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