N-[cyclopropyl(6-methylpyridin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide

• ChemBase ID: 520400
• Molecular Formular: C20H20N4O
• Molecular Mass: 332.399
• Monoisotopic Mass: 332.16371128
• SMILES: N(C(=O)c1cc(c2c[nH]nc2)ccc1)C(C1CC1)c1nc(ccc1)C
• Canonical SMILES: Cc1cccc(n1)C(C1CC1)NC(=O)c1cccc(c1)c1c[nH]nc1
• InChI: InChI=1S/C20H20N4O/c1-13-4-2-7-18(23-13)19(14-8-9-14)24-20(25)16-6-3-5-15(10-16)17-11-21-22-12-17/h2-7,10-12,14,19H,8-9H2,1H3,(H,21,22)(H,24,25)
• InChIKey: NPFFECPLJLTUOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[cyclopropyl(6-methylpyridin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
• IUPAC Traditional name: N-[cyclopropyl(6-methylpyridin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
• Synonyms: N-[cyclopropyl(6-methylpyridin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.396901
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.6413524
• LogD (pH = 7.4): 2.7101939
• Log P: 2.7111478
• Molar Refractivity: 97.069 cm^3
• Polarizability: 38.0272 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.68
• LOG S: -2.61
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5