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

• ChemBase ID: 846018
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: c1(=O)n(ccc2c1cccn2)CC(=O)N(C1CCCCC1)C
• Canonical SMILES: CN(C(=O)Cn1ccc2c(c1=O)cccn2)C1CCCCC1
• InChI: InChI=1S/C17H21N3O2/c1-19(13-6-3-2-4-7-13)16(21)12-20-11-9-15-14(17(20)22)8-5-10-18-15/h5,8-11,13H,2-4,6-7,12H2,1H3
• InChIKey: HXXBOUKCQDOBPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.294516
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.478595
• LogD (pH = 7.4): 1.4815204
• Log P: 1.4815578
• Molar Refractivity: 84.4429 cm^3
• Polarizability: 32.11022 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.76
• LOG S: -2.89
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 3