N-{[3-(2-methoxyethoxy)phenyl]methyl}-4,5,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 401684
• Molecular Formular: C19H24N2O4
• Molecular Mass: 344.40486
• Monoisotopic Mass: 344.17360726
• SMILES: c1(c(c(c([nH]c1=O)C)C)C)C(=O)NCc1cc(OCCOC)ccc1
• Canonical SMILES: COCCOc1cccc(c1)CNC(=O)c1c(=O)[nH]c(c(c1C)C)C
• InChI: InChI=1S/C19H24N2O4/c1-12-13(2)17(19(23)21-14(12)3)18(22)20-11-15-6-5-7-16(10-15)25-9-8-24-4/h5-7,10H,8-9,11H2,1-4H3,(H,20,22)(H,21,23)
• InChIKey: REDNAOJIGBAOTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(2-methoxyethoxy)phenyl]methyl}-4,5,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-{[3-(2-methoxyethoxy)phenyl]methyl}-4,5,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-[3-(2-methoxyethoxy)benzyl]-4,5,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.285931
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2294593
• LogD (pH = 7.4): 1.22941
• Log P: 1.22946
• Molar Refractivity: 97.3409 cm^3
• Polarizability: 36.84673 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.49
• LOG S: -2.98
• Polar Surface Area: 80.42 Å^2
• Rotatable Bonds: 7