2-methoxy-N-{[3-methyl-7-(2-methylfuran-3-carbonyl)-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}-2-phenylacetamide

• ChemBase ID: 604467
• Molecular Formular: C25H27N3O4
• Molecular Mass: 433.49958
• Monoisotopic Mass: 433.20015636
• SMILES: c1(C(=O)N2Cc3c(c(CNC(=O)C(c4ccccc4)OC)c(nc3)C)CC2)c(occ1)C
• Canonical SMILES: COC(c1ccccc1)C(=O)NCc1c(C)ncc2c1CCN(C2)C(=O)c1ccoc1C
• InChI: InChI=1S/C25H27N3O4/c1-16-22(14-27-24(29)23(31-3)18-7-5-4-6-8-18)21-9-11-28(15-19(21)13-26-16)25(30)20-10-12-32-17(20)2/h4-8,10,12-13,23H,9,11,14-15H2,1-3H3,(H,27,29)
• InChIKey: FUGJJRQUMCLXLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-{[3-methyl-7-(2-methylfuran-3-carbonyl)-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}-2-phenylacetamide
• IUPAC Traditional name: 2-methoxy-N-{[3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl}-2-phenylacetamide
• Synonyms: 2-methoxy-N-{[3-methyl-7-(2-methyl-3-furoyl)-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.197141
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8252165
• LogD (pH = 7.4): 1.9933536
• Log P: 1.9960274
• Molar Refractivity: 121.6782 cm^3
• Polarizability: 45.909416 Å^3
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.25
• LOG S: -4.52
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 5