2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(pyridin-4-ylmethyl)acetamide

• ChemBase ID: 213611
• Molecular Formular: C19H18N2O4
• Molecular Mass: 338.35722
• Monoisotopic Mass: 338.12665707
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CC(=O)NCc1ccncc1
• Canonical SMILES: COc1ccc2c(c1)oc(=O)c(c2C)CC(=O)NCc1ccncc1
• InChI: InChI=1S/C19H18N2O4/c1-12-15-4-3-14(24-2)9-17(15)25-19(23)16(12)10-18(22)21-11-13-5-7-20-8-6-13/h3-9H,10-11H2,1-2H3,(H,21,22)
• InChIKey: IIKRKXPJSPXTFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(pyridin-4-ylmethyl)acetamide
• IUPAC Traditional name: 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(pyridin-4-ylmethyl)acetamide

Database IDs

• PubChem SID: 164269521
• PubChem CID: 4868588

CALCULATED PROPERTIES

• Acid pKa: 14.441786
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2588073
• LogD (pH = 7.4): 1.3668734
• Log P: 1.3684945
• Molar Refractivity: 92.0919 cm^3
• Polarizability: 35.491096 Å^3
• Polar Surface Area: 77.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds