N-(2-methylphenyl)-3-(1,8-naphthyridin-2-ylformamido)propanamide

• ChemBase ID: 577694
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: n1c2ncccc2ccc1C(=O)NCCC(=O)Nc1c(C)cccc1
• Canonical SMILES: O=C(Nc1ccccc1C)CCNC(=O)c1ccc2c(n1)nccc2
• InChI: InChI=1S/C19H18N4O2/c1-13-5-2-3-7-15(13)22-17(24)10-12-21-19(25)16-9-8-14-6-4-11-20-18(14)23-16/h2-9,11H,10,12H2,1H3,(H,21,25)(H,22,24)
• InChIKey: ZUPZLZPMCHOIIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylphenyl)-3-(1,8-naphthyridin-2-ylformamido)propanamide
• IUPAC Traditional name: N-(2-methylphenyl)-3-(1,8-naphthyridin-2-ylformamido)propanamide
• Synonyms: N-{3-[(2-methylphenyl)amino]-3-oxopropyl}-1,8-naphthyridine-2-carboxamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.097323
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.3611164
• LogD (pH = 7.4): 2.3611186
• Log P: 2.3611186
• Molar Refractivity: 97.1008 cm^3
• Polarizability: 36.29476 Å^3
• Polar Surface Area: 83.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.6
• LOG S: -3.0
• Polar Surface Area: 83.98 Å^2
• Rotatable Bonds: 5