2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(pyridin-2-yl)propyl]acetamide

• ChemBase ID: 632192
• Molecular Formular: C13H16N4O3
• Molecular Mass: 276.29114
• Monoisotopic Mass: 276.12224039
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCCCc1ncccc1
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCCCc1ccccn1
• InChI: InChI=1S/C13H16N4O3/c18-11(9-17-12(19)8-16-13(17)20)15-7-3-5-10-4-1-2-6-14-10/h1-2,4,6H,3,5,7-9H2,(H,15,18)(H,16,20)
• InChIKey: ZJZYKSNPQUIFNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(pyridin-2-yl)propyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(pyridin-2-yl)propyl]acetamide
• Synonyms: 2-(2,5-dioxo-1-imidazolidinyl)-N-[3-(2-pyridinyl)propyl]acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: -1.28
• LOG S: -0.13
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 2

JChem

• Molar Refractivity: 70.1342 cm^3
• Polarizability: 27.136652 Å^3
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 11.838691
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.26526
• LogD (pH = 7.4): -1.2185292
• Log P: -1.2178811