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

• ChemBase ID: 409308
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCCCNc2cnccc2)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)NCCCNc1cccnc1
• InChI: InChI=1S/C19H23N5O2/c1-14-5-6-15(12-17(14)24-11-10-23-19(24)26)18(25)22-9-3-8-21-16-4-2-7-20-13-16/h2,4-7,12-13,21H,3,8-11H2,1H3,(H,22,25)(H,23,26)
• InChIKey: DKDCEDYIUGKRRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-{3-[(pyridin-3-yl)amino]propyl}benzamide
• IUPAC Traditional name: 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[3-(pyridin-3-ylamino)propyl]benzamide
• Synonyms: 4-methyl-3-(2-oxo-1-imidazolidinyl)-N-[3-(3-pyridinylamino)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.82752
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.1889531
• LogD (pH = 7.4): 0.49176297
• Log P: 0.4981519
• Molar Refractivity: 101.6489 cm^3
• Polarizability: 37.423916 Å^3
• Polar Surface Area: 86.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: -0.57
• LOG S: -2.6
• Polar Surface Area: 86.36 Å^2
• Rotatable Bonds: 7