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

• ChemBase ID: 689857
• Molecular Formular: C25H29N3O6
• Molecular Mass: 467.51426
• Monoisotopic Mass: 467.20563566
• SMILES: c1(c(=O)c(cn(c1)CCc1ccc(cc1)OC)C(=O)NCCOC)C(=O)NCc1oc(cc1)C
• Canonical SMILES: COCCNC(=O)c1cn(CCc2ccc(cc2)OC)cc(c1=O)C(=O)NCc1ccc(o1)C
• InChI: InChI=1S/C25H29N3O6/c1-17-4-7-20(34-17)14-27-25(31)22-16-28(12-10-18-5-8-19(33-3)9-6-18)15-21(23(22)29)24(30)26-11-13-32-2/h4-9,15-16H,10-14H2,1-3H3,(H,26,30)(H,27,31)
• InChIKey: UDCQWWLOQMHSJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.9737
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.4575211
• LogD (pH = 7.4): 1.4575202
• Log P: 1.4575213
• Molar Refractivity: 127.525 cm^3
• Polarizability: 48.0859 Å^3
• Polar Surface Area: 110.11 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.05
• LOG S: -5.88
• Polar Surface Area: 111.8 Å^2
• Rotatable Bonds: 9