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

• ChemBase ID: 481890
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCCNc2ncccc2C)ccc1C
• Canonical SMILES: O=C(c1ccc(c(c1)N1CCNC1=O)C)NCCNc1ncccc1C
• InChI: InChI=1S/C19H23N5O2/c1-13-5-6-15(12-16(13)24-11-10-23-19(24)26)18(25)22-9-8-21-17-14(2)4-3-7-20-17/h3-7,12H,8-11H2,1-2H3,(H,20,21)(H,22,25)(H,23,26)
• InChIKey: ZSFVPJXXHNUADF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.813354
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.2932228
• LogD (pH = 7.4): 1.3756006
• Log P: 1.546071
• Molar Refractivity: 102.1382 cm^3
• Polarizability: 37.348408 Å^3
• Polar Surface Area: 86.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.0
• LOG S: -2.63
• Polar Surface Area: 86.36 Å^2
• Rotatable Bonds: 6