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

• ChemBase ID: 393432
• Molecular Formular: C26H29N3O5
• Molecular Mass: 463.52556
• Monoisotopic Mass: 463.21072104
• SMILES: N1(C(=O)Cc2c(OC)cccc2)Cc2c(c(CNC(=O)c3oc(cc3)COC)c(nc2)C)CC1
• Canonical SMILES: COCc1ccc(o1)C(=O)NCc1c(C)ncc2c1CCN(C2)C(=O)Cc1ccccc1OC
• InChI: InChI=1S/C26H29N3O5/c1-17-22(14-28-26(31)24-9-8-20(34-24)16-32-2)21-10-11-29(15-19(21)13-27-17)25(30)12-18-6-4-5-7-23(18)33-3/h4-9,13H,10-12,14-16H2,1-3H3,(H,28,31)
• InChIKey: NVVDCGLDOCQYHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.785324
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2557884
• LogD (pH = 7.4): 1.4239322
• Log P: 1.4266057
• Molar Refractivity: 128.2244 cm^3
• Polarizability: 48.518078 Å^3
• Polar Surface Area: 93.9 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.89
• LOG S: -5.4
• Polar Surface Area: 93.9 Å^2
• Rotatable Bonds: 6