N-(cyclohexylmethyl)-2-(5-oxo-5,6-dihydro-1,6-naphthyridin-6-yl)acetamide

• ChemBase ID: 455454
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: c1(=O)n(ccc2c1cccn2)CC(=O)NCC1CCCCC1
• Canonical SMILES: O=C(Cn1ccc2c(c1=O)cccn2)NCC1CCCCC1
• InChI: InChI=1S/C17H21N3O2/c21-16(19-11-13-5-2-1-3-6-13)12-20-10-8-15-14(17(20)22)7-4-9-18-15/h4,7-10,13H,1-3,5-6,11-12H2,(H,19,21)
• InChIKey: WXBLKUGZEXAYSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclohexylmethyl)-2-(5-oxo-5,6-dihydro-1,6-naphthyridin-6-yl)acetamide
• IUPAC Traditional name: N-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide
• Synonyms: N-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6(5H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.094301
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5699316
• LogD (pH = 7.4): 1.572857
• Log P: 1.5728945
• Molar Refractivity: 84.277 cm^3
• Polarizability: 32.110226 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.99
• LOG S: -3.08
• Polar Surface Area: 63.99 Å^2
• Rotatable Bonds: 4