N-ethyl-6-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide

• ChemBase ID: 609366
• Molecular Formular: C18H25N5O
• Molecular Mass: 327.424
• Monoisotopic Mass: 327.20591045
• SMILES: c1(c(cn[nH]1)CC)C1CCN(c2ncc(C(=O)NCC)cc2)CC1
• Canonical SMILES: CCNC(=O)c1ccc(nc1)N1CCC(CC1)c1[nH]ncc1CC
• InChI: InChI=1S/C18H25N5O/c1-3-13-12-21-22-17(13)14-7-9-23(10-8-14)16-6-5-15(11-20-16)18(24)19-4-2/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,19,24)(H,21,22)
• InChIKey: URSPXDGTAVFFDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-6-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide
• IUPAC Traditional name: N-ethyl-6-[4-(4-ethyl-2H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
• Synonyms: N-ethyl-6-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.566182
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.1746635
• LogD (pH = 7.4): 2.2633448
• Log P: 2.2646098
• Molar Refractivity: 97.4366 cm^3
• Polarizability: 35.495632 Å^3
• Polar Surface Area: 73.91 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: 2.74
• LOG S: -3.93
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 5