N3-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-N3-methyl-N5-[(5-methylfuran-2-yl)methyl]-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide

• ChemBase ID: 360203
• Molecular Formular: C26H31N3O6
• Molecular Mass: 481.54084
• Monoisotopic Mass: 481.22128573
• SMILES: c1(c(=O)c(cn(c1)CCc1ccc(cc1)OC)C(=O)NCc1oc(cc1)C)C(=O)N(CCOC)C
• Canonical SMILES: COCCN(C(=O)c1cn(CCc2ccc(cc2)OC)cc(c1=O)C(=O)NCc1ccc(o1)C)C
• InChI: InChI=1S/C26H31N3O6/c1-18-5-8-21(35-18)15-27-25(31)22-16-29(12-11-19-6-9-20(34-4)10-7-19)17-23(24(22)30)26(32)28(2)13-14-33-3/h5-10,16-17H,11-15H2,1-4H3,(H,27,31)
• InChIKey: OGQGRJDSBUUXDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-N3-methyl-N5-[(5-methylfuran-2-yl)methyl]-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide
• IUPAC Traditional name: N3-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-N3-methyl-N5-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3,5-dicarboxamide
• Synonyms: N-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-N'-[(5-methyl-2-furyl)methyl]-4-oxo-1,4-dihydro-3,5-pyridinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.030636
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.681197
• LogD (pH = 7.4): 1.6811965
• Log P: 1.6811974
• Molar Refractivity: 132.4217 cm^3
• Polarizability: 49.920437 Å^3
• Polar Surface Area: 101.32 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.01
• LOG S: -5.43
• Polar Surface Area: 103.01 Å^2
• Rotatable Bonds: 9