N-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[2-(pyridin-2-yl)piperidin-1-yl]acetamide

• ChemBase ID: 638496
• Molecular Formular: C17H23N5O
• Molecular Mass: 313.39742
• Monoisotopic Mass: 313.19026038
• SMILES: c1(c(nn(c1)C)C)NC(=O)CN1C(c2ncccc2)CCCC1
• Canonical SMILES: O=C(Nc1cn(nc1C)C)CN1CCCCC1c1ccccn1
• InChI: InChI=1S/C17H23N5O/c1-13-15(11-21(2)20-13)19-17(23)12-22-10-6-4-8-16(22)14-7-3-5-9-18-14/h3,5,7,9,11,16H,4,6,8,10,12H2,1-2H3,(H,19,23)
• InChIKey: PZJVUZNQCLKRMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[2-(pyridin-2-yl)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-(1,3-dimethylpyrazol-4-yl)-2-[2-(pyridin-2-yl)piperidin-1-yl]acetamide
• Synonyms: N-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-pyridinyl)-1-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.3271675
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8169605
• LogD (pH = 7.4): 1.3007208
• Log P: 1.3122799
• Molar Refractivity: 101.6657 cm^3
• Polarizability: 34.23886 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.46
• LOG S: -1.43
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 4