N-(2-methoxy-5-{[propyl(pyridin-3-ylmethyl)carbamoyl]amino}phenyl)acetamide

• ChemBase ID: 373375
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: C(=O)(N(Cc1cnccc1)CCC)Nc1cc(NC(=O)C)c(cc1)OC
• Canonical SMILES: CCCN(C(=O)Nc1ccc(c(c1)NC(=O)C)OC)Cc1cccnc1
• InChI: InChI=1S/C19H24N4O3/c1-4-10-23(13-15-6-5-9-20-12-15)19(25)22-16-7-8-18(26-3)17(11-16)21-14(2)24/h5-9,11-12H,4,10,13H2,1-3H3,(H,21,24)(H,22,25)
• InChIKey: CYIGHYZXRRXFPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxy-5-{[propyl(pyridin-3-ylmethyl)carbamoyl]amino}phenyl)acetamide
• IUPAC Traditional name: N-(2-methoxy-5-{[propyl(pyridin-3-ylmethyl)carbamoyl]amino}phenyl)acetamide
• Synonyms: N-[2-methoxy-5-({[propyl(pyridin-3-ylmethyl)amino]carbonyl}amino)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.409431
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7187033
• LogD (pH = 7.4): 1.78992
• Log P: 1.7909329
• Molar Refractivity: 102.4456 cm^3
• Polarizability: 37.9664 Å^3
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.54
• LOG S: -1.81
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 7