N-tert-butyl-2-(5-oxo-5,6-dihydro-1,6-naphthyridin-6-yl)butanamide

• ChemBase ID: 664014
• Molecular Formular: C16H21N3O2
• Molecular Mass: 287.35684
• Monoisotopic Mass: 287.16337693
• SMILES: n1(c(=O)c2c(cc1)nccc2)C(C(=O)NC(C)(C)C)CC
• Canonical SMILES: CCC(n1ccc2c(c1=O)cccn2)C(=O)NC(C)(C)C
• InChI: InChI=1S/C16H21N3O2/c1-5-13(14(20)18-16(2,3)4)19-10-8-12-11(15(19)21)7-6-9-17-12/h6-10,13H,5H2,1-4H3,(H,18,20)
• InChIKey: CYWZRNOAMJMROD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.90535
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6009125
• LogD (pH = 7.4): 1.6038203
• Log P: 1.6038575
• Molar Refractivity: 81.3555 cm^3
• Polarizability: 30.995628 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: 1.51
• LOG S: -2.59
• Polar Surface Area: 63.99 Å^2
• Rotatable Bonds: 4