N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide

• ChemBase ID: 851955
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: c1(c(=O)c2c(n(c1)CC)nc(cc2)C)C(=O)NCCn1c(c(nc1)C)C
• Canonical SMILES: CCn1cc(C(=O)NCCn2cnc(c2C)C)c(=O)c2c1nc(C)cc2
• InChI: InChI=1S/C19H23N5O2/c1-5-23-10-16(17(25)15-7-6-12(2)22-18(15)23)19(26)20-8-9-24-11-21-13(3)14(24)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,20,26)
• InChIKey: XDSKTHVNWLYMJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
• Synonyms: N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.932416
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.13592328
• LogD (pH = 7.4): 0.7264985
• Log P: 0.8926605
• Molar Refractivity: 101.2251 cm^3
• Polarizability: 37.306072 Å^3
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.1
• LOG S: -2.72
• Polar Surface Area: 81.81 Å^2
• Rotatable Bonds: 5