N-(cyclopropylmethyl)-2-(5-oxo-5,6-dihydro-1,6-naphthyridin-6-yl)-N-propylacetamide

• ChemBase ID: 333944
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: c1(=O)n(ccc2c1cccn2)CC(=O)N(CC1CC1)CCC
• Canonical SMILES: CCCN(C(=O)Cn1ccc2c(c1=O)cccn2)CC1CC1
• InChI: InChI=1S/C17H21N3O2/c1-2-9-19(11-13-5-6-13)16(21)12-20-10-7-15-14(17(20)22)4-3-8-18-15/h3-4,7-8,10,13H,2,5-6,9,11-12H2,1H3
• InChIKey: ZMXWLAPLCMCNDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.291811
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3392321
• LogD (pH = 7.4): 1.3421575
• Log P: 1.3421949
• Molar Refractivity: 84.6433 cm^3
• Polarizability: 32.11022 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.67
• LOG S: -2.81
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 6