N-[(1-methylpyrrolidin-3-yl)methyl]-2-[(pyridin-2-ylmethyl)amino]benzamide

• ChemBase ID: 862494
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: c1(C(=O)NCC2CN(CC2)C)c(NCc2ncccc2)cccc1
• Canonical SMILES: CN1CCC(C1)CNC(=O)c1ccccc1NCc1ccccn1
• InChI: InChI=1S/C19H24N4O/c1-23-11-9-15(14-23)12-22-19(24)17-7-2-3-8-18(17)21-13-16-6-4-5-10-20-16/h2-8,10,15,21H,9,11-14H2,1H3,(H,22,24)
• InChIKey: SEZGIRVEGIBKSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-methylpyrrolidin-3-yl)methyl]-2-[(pyridin-2-ylmethyl)amino]benzamide
• IUPAC Traditional name: N-[(1-methylpyrrolidin-3-yl)methyl]-2-[(pyridin-2-ylmethyl)amino]benzamide
• Synonyms: N-[(1-methylpyrrolidin-3-yl)methyl]-2-[(pyridin-2-ylmethyl)amino]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.347487
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.3896351
• LogD (pH = 7.4): 0.19014981
• Log P: 1.8430078
• Molar Refractivity: 97.7297 cm^3
• Polarizability: 36.684853 Å^3
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.83
• LOG S: -1.83
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 6