4-(4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]butanamide

• ChemBase ID: 227431
• Molecular Formular: C19H22N2O5
• Molecular Mass: 358.38838
• Monoisotopic Mass: 358.15287181
• SMILES: c1(=O)n(c(cc(c1)O)C)CCCC(=O)NCC(=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)CNC(=O)CCCn1c(C)cc(cc1=O)O
• InChI: InChI=1S/C19H22N2O5/c1-13-10-15(22)11-19(25)21(13)9-3-4-18(24)20-12-17(23)14-5-7-16(26-2)8-6-14/h5-8,10-11,22H,3-4,9,12H2,1-2H3,(H,20,24)
• InChIKey: QHNZVGUCPCDLHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]butanamide
• IUPAC Traditional name: 4-(4-hydroxy-2-methyl-6-oxopyridin-1-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]butanamide

Database IDs

• PubChem SID: 164283341
• PubChem CID: 71754560

CALCULATED PROPERTIES

• Acid pKa: 9.084917
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.5384259
• LogD (pH = 7.4): 0.52966154
• Log P: 0.53853893
• Molar Refractivity: 99.2762 cm^3
• Polarizability: 36.85716 Å^3
• Polar Surface Area: 95.94 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds