2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide

• ChemBase ID: 225219
• Molecular Formular: C17H20N2O5
• Molecular Mass: 332.3511
• Monoisotopic Mass: 332.13722175
• SMILES: n1(cc(c(=O)cc1CO)OC)CC(=O)NCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNC(=O)Cn1cc(OC)c(=O)cc1CO
• InChI: InChI=1S/C17H20N2O5/c1-23-14-5-3-12(4-6-14)8-18-17(22)10-19-9-16(24-2)15(21)7-13(19)11-20/h3-7,9,20H,8,10-11H2,1-2H3,(H,18,22)
• InChIKey: BWDYTONPBHWBLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
• IUPAC Traditional name: 2-[2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide

Database IDs

• PubChem SID: 164281129
• PubChem CID: 56723765

CALCULATED PROPERTIES

• Acid pKa: 14.610781
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.13948393
• LogD (pH = 7.4): 0.13948396
• Log P: 0.13948399
• Molar Refractivity: 90.8718 cm^3
• Polarizability: 33.82046 Å^3
• Polar Surface Area: 88.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds