4-(2,4-dioxoimidazolidin-1-yl)-N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]benzamide

• ChemBase ID: 688994
• Molecular Formular: C19H20N4O4
• Molecular Mass: 368.3865
• Monoisotopic Mass: 368.14845514
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCc2c(c(c(cn2)C)OC)C)cc1
• Canonical SMILES: COc1c(C)cnc(c1C)CNC(=O)c1ccc(cc1)N1CC(=O)NC1=O
• InChI: InChI=1S/C19H20N4O4/c1-11-8-20-15(12(2)17(11)27-3)9-21-18(25)13-4-6-14(7-5-13)23-10-16(24)22-19(23)26/h4-8H,9-10H2,1-3H3,(H,21,25)(H,22,24,26)
• InChIKey: DRSPJQGRTWHOSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.065886
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.008220061
• LogD (pH = 7.4): 0.8962681
• Log P: 0.9631745
• Molar Refractivity: 98.1746 cm^3
• Polarizability: 37.000557 Å^3
• Polar Surface Area: 100.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.03
• LOG S: -2.77
• Polar Surface Area: 100.63 Å^2
• Rotatable Bonds: 5