4-({[(2,6-dimethylpyridin-4-yl)methyl]carbamoyl}amino)-N-(2-methoxyethyl)benzamide

• ChemBase ID: 473655
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: C(=O)(Nc1ccc(C(=O)NCCOC)cc1)NCc1cc(nc(c1)C)C
• Canonical SMILES: COCCNC(=O)c1ccc(cc1)NC(=O)NCc1cc(C)nc(c1)C
• InChI: InChI=1S/C19H24N4O3/c1-13-10-15(11-14(2)22-13)12-21-19(25)23-17-6-4-16(5-7-17)18(24)20-8-9-26-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,20,24)(H2,21,23,25)
• InChIKey: GADPFPZXBCOIOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({[(2,6-dimethylpyridin-4-yl)methyl]carbamoyl}amino)-N-(2-methoxyethyl)benzamide
• IUPAC Traditional name: 4-({[(2,6-dimethylpyridin-4-yl)methyl]carbamoyl}amino)-N-(2-methoxyethyl)benzamide
• Synonyms: 4-[({[(2,6-dimethylpyridin-4-yl)methyl]amino}carbonyl)amino]-N-(2-methoxyethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.952972
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.060562715
• LogD (pH = 7.4): 0.851516
• Log P: 0.8979686
• Molar Refractivity: 101.1517 cm^3
• Polarizability: 37.628555 Å^3
• Polar Surface Area: 92.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.4
• LOG S: -1.69
• Polar Surface Area: 92.35 Å^2
• Rotatable Bonds: 7