N-[(2-chloropyridin-3-yl)methyl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methylacetamide

• ChemBase ID: 614628
• Molecular Formular: C14H17ClN4O3
• Molecular Mass: 324.76278
• Monoisotopic Mass: 324.0989181
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(Cc1c(nccc1)Cl)C)C)C
• Canonical SMILES: O=C(N(Cc1cccnc1Cl)C)CC1N(C)C(=O)N(C1=O)C
• InChI: InChI=1S/C14H17ClN4O3/c1-17(8-9-5-4-6-16-12(9)15)11(20)7-10-13(21)19(3)14(22)18(10)2/h4-6,10H,7-8H2,1-3H3
• InChIKey: WKGLYAPUJPVBLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.182891
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.10449478
• LogD (pH = 7.4): -0.10448415
• Log P: -0.10448394
• Molar Refractivity: 81.3062 cm^3
• Polarizability: 30.958775 Å^3
• Polar Surface Area: 73.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.33
• LOG S: -1.74
• Polar Surface Area: 73.82 Å^2
• Rotatable Bonds: 4