4-(2,4-dioxoimidazolidin-1-yl)-N-[1-(pyridin-3-yl)propan-2-yl]benzamide

• ChemBase ID: 643396
• Molecular Formular: C18H18N4O3
• Molecular Mass: 338.36052
• Monoisotopic Mass: 338.13789046
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NC(Cc2cnccc2)C)cc1
• Canonical SMILES: CC(NC(=O)c1ccc(cc1)N1CC(=O)NC1=O)Cc1cccnc1
• InChI: InChI=1S/C18H18N4O3/c1-12(9-13-3-2-8-19-10-13)20-17(24)14-4-6-15(7-5-14)22-11-16(23)21-18(22)25/h2-8,10,12H,9,11H2,1H3,(H,20,24)(H,21,23,25)
• InChIKey: HUBUMIDPMDVIAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[1-(pyridin-3-yl)propan-2-yl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[1-(pyridin-3-yl)propan-2-yl]benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-[1-methyl-2-(3-pyridinyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.0645275
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.62710214
• LogD (pH = 7.4): 0.7072715
• Log P: 0.7177673
• Molar Refractivity: 91.325 cm^3
• Polarizability: 34.608253 Å^3
• Polar Surface Area: 91.4 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: 0.12
• LOG S: -1.78
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 5