N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-phenylacetamide

• ChemBase ID: 639418
• Molecular Formular: C18H21N3O
• Molecular Mass: 295.37884
• Monoisotopic Mass: 295.16846231
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)Cc1ccccc1
• Canonical SMILES: O=C(Cc1ccccc1)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C18H21N3O/c1-13-17(16-7-8-19-10-15(16)11-20-13)12-21-18(22)9-14-5-3-2-4-6-14/h2-6,11,19H,7-10,12H2,1H3,(H,21,22)
• InChIKey: BXGUGKMDKAFTPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-phenylacetamide
• IUPAC Traditional name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-phenylacetamide
• Synonyms: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.438426
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7647147
• LogD (pH = 7.4): -0.23247725
• Log P: 1.2641357
• Molar Refractivity: 87.6893 cm^3
• Polarizability: 33.76338 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.52
• LOG S: -0.5
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 4