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

• ChemBase ID: 532477
• Molecular Formular: C23H29N3O
• Molecular Mass: 363.49586
• Monoisotopic Mass: 363.23106256
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)C(c1ccccc1)C1CCCC1
• Canonical SMILES: O=C(C(c1ccccc1)C1CCCC1)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C23H29N3O/c1-16-21(20-11-12-24-13-19(20)14-25-16)15-26-23(27)22(18-9-5-6-10-18)17-7-3-2-4-8-17/h2-4,7-8,14,18,22,24H,5-6,9-13,15H2,1H3,(H,26,27)
• InChIKey: DRRFEYGNVHUKIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.503594
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.06472917
• LogD (pH = 7.4): 1.4675084
• Log P: 2.964121
• Molar Refractivity: 108.8132 cm^3
• Polarizability: 42.251736 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.36
• LOG S: -2.57
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 5