4-(2,4-dioxoimidazolidin-1-yl)-N-{2-[(3-methylpyridin-2-yl)amino]ethyl}benzamide

• ChemBase ID: 636246
• Molecular Formular: C18H19N5O3
• Molecular Mass: 353.37516
• Monoisotopic Mass: 353.14878949
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCCNc2ncccc2C)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)NCCNc1ncccc1C
• InChI: InChI=1S/C18H19N5O3/c1-12-3-2-8-19-16(12)20-9-10-21-17(25)13-4-6-14(7-5-13)23-11-15(24)22-18(23)26/h2-8H,9-11H2,1H3,(H,19,20)(H,21,25)(H,22,24,26)
• InChIKey: FKWZGQDDAIBXTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.069218
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.58252937
• LogD (pH = 7.4): 0.4907695
• Log P: 0.5848755
• Molar Refractivity: 97.1761 cm^3
• Polarizability: 35.691803 Å^3
• Polar Surface Area: 103.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.56
• LOG S: -2.25
• Polar Surface Area: 103.43 Å^2
• Rotatable Bonds: 6