5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide

• ChemBase ID: 225855
• Molecular Formular: C17H20N2O4
• Molecular Mass: 316.3517
• Monoisotopic Mass: 316.14230713
• SMILES: c1(cc(=O)c(cn1C)OC)C(=O)NCCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)c1cc(=O)c(cn1C)OC
• InChI: InChI=1S/C17H20N2O4/c1-19-11-16(23-3)15(20)10-14(19)17(21)18-9-8-12-4-6-13(22-2)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,18,21)
• InChIKey: NSSAXXYCIBJDGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide
• IUPAC Traditional name: 5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-1-methyl-4-oxopyridine-2-carboxamide

Database IDs

• PubChem SID: 164281765
• PubChem CID: 71691870

CALCULATED PROPERTIES

• Acid pKa: 15.126595
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4226067
• LogD (pH = 7.4): 1.4226254
• Log P: 1.4226257
• Molar Refractivity: 89.4847 cm^3
• Polarizability: 33.173958 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds