5-methoxy-4-oxo-N-(2-phenylethyl)-1,4-dihydropyridine-2-carboxamide

• ChemBase ID: 225069
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: c1(cc(=O)c(c[nH]1)OC)C(=O)NCCc1ccccc1
• Canonical SMILES: COc1c[nH]c(cc1=O)C(=O)NCCc1ccccc1
• InChI: InChI=1S/C15H16N2O3/c1-20-14-10-17-12(9-13(14)18)15(19)16-8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,19)(H,17,18)
• InChIKey: RVXVUVLNPOWWBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-4-oxo-N-(2-phenylethyl)-1,4-dihydropyridine-2-carboxamide
• IUPAC Traditional name: 5-methoxy-4-oxo-N-(2-phenylethyl)-1H-pyridine-2-carboxamide

Database IDs

• PubChem SID: 164280979
• PubChem CID: 27448403

CALCULATED PROPERTIES

• Acid pKa: 7.4758515
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1927654
• LogD (pH = 7.4): 0.94942236
• Log P: 1.1972489
• Molar Refractivity: 77.7268 cm^3
• Polarizability: 28.805386 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds