1-ethyl-7-methyl-N-(2-methylpropyl)-4-oxo-N-(pyridin-2-ylmethyl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide

• ChemBase ID: 662352
• Molecular Formular: C22H26N4O2
• Molecular Mass: 378.46744
• Monoisotopic Mass: 378.20557609
• SMILES: c1(c(=O)c2c(n(c1)CC)nc(cc2)C)C(=O)N(Cc1ncccc1)CC(C)C
• Canonical SMILES: CCn1cc(C(=O)N(Cc2ccccn2)CC(C)C)c(=O)c2c1nc(C)cc2
• InChI: InChI=1S/C22H26N4O2/c1-5-25-14-19(20(27)18-10-9-16(4)24-21(18)25)22(28)26(12-15(2)3)13-17-8-6-7-11-23-17/h6-11,14-15H,5,12-13H2,1-4H3
• InChIKey: HILCMASQMAGELA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-7-methyl-N-(2-methylpropyl)-4-oxo-N-(pyridin-2-ylmethyl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide
• IUPAC Traditional name: 1-ethyl-7-methyl-N-(2-methylpropyl)-4-oxo-N-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
• Synonyms: 1-ethyl-N-isobutyl-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 2.7099295
• Log P: 2.7110538
• Molar Refractivity: 110.1178 cm^3
• Polarizability: 41.57152 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.627441

供应商提供(Chembridge)

• Log P: 0.9
• LOG S: -1.43
• Polar Surface Area: 68.09 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0