N-({2-[benzyl(methyl)amino]pyridin-3-yl}methyl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase ID: 610253
• Molecular Formular: C19H22N4O3
• Molecular Mass: 354.40298
• Monoisotopic Mass: 354.16919058
• SMILES: C1(=O)N(CC(=O)NCc2c(N(Cc3ccccc3)C)nccc2)CCO1
• Canonical SMILES: CN(c1ncccc1CNC(=O)CN1CCOC1=O)Cc1ccccc1
• InChI: InChI=1S/C19H22N4O3/c1-22(13-15-6-3-2-4-7-15)18-16(8-5-9-20-18)12-21-17(24)14-23-10-11-26-19(23)25/h2-9H,10-14H2,1H3,(H,21,24)
• InChIKey: NTFFAEJOAOAJTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[benzyl(methyl)amino]pyridin-3-yl}methyl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC Traditional name: N-({2-[benzyl(methyl)amino]pyridin-3-yl}methyl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• Synonyms: N-({2-[benzyl(methyl)amino]-3-pyridinyl}methyl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.056867
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0047382
• LogD (pH = 7.4): 1.6696393
• Log P: 1.693322
• Molar Refractivity: 98.5278 cm^3
• Polarizability: 37.28513 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.01
• LOG S: -2.83
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 7