N-{[7-(2-cyclohexylacetyl)-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}furan-2-carboxamide

• ChemBase ID: 326882
• Molecular Formular: C23H29N3O3
• Molecular Mass: 395.49466
• Monoisotopic Mass: 395.2208918
• SMILES: N1(C(=O)CC2CCCCC2)Cc2c(c(CNC(=O)c3occc3)c(nc2)C)CC1
• Canonical SMILES: O=C(N1CCc2c(C1)cnc(c2CNC(=O)c1ccco1)C)CC1CCCCC1
• InChI: InChI=1S/C23H29N3O3/c1-16-20(14-25-23(28)21-8-5-11-29-21)19-9-10-26(15-18(19)13-24-16)22(27)12-17-6-3-2-4-7-17/h5,8,11,13,17H,2-4,6-7,9-10,12,14-15H2,1H3,(H,25,28)
• InChIKey: WLNOLWJTENYCEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[7-(2-cyclohexylacetyl)-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}furan-2-carboxamide
• IUPAC Traditional name: N-{[7-(2-cyclohexylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl}furan-2-carboxamide
• Synonyms: N-{[7-(cyclohexylacetyl)-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.937312
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0854452
• LogD (pH = 7.4): 2.2535896
• Log P: 2.256263
• Molar Refractivity: 111.372 cm^3
• Polarizability: 42.343376 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.1
• LOG S: -5.46
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 5