N-ethyl-N-methyl-6-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine-3-carboxamide

• ChemBase ID: 527818
• Molecular Formular: C20H26N4O2
• Molecular Mass: 354.44604
• Monoisotopic Mass: 354.20557609
• SMILES: N1(c2ncc(C(=O)N(CC)C)cc2)CC(OCc2ncccc2)CCC1
• Canonical SMILES: CCN(C(=O)c1ccc(nc1)N1CCCC(C1)OCc1ccccn1)C
• InChI: InChI=1S/C20H26N4O2/c1-3-23(2)20(25)16-9-10-19(22-13-16)24-12-6-8-18(14-24)26-15-17-7-4-5-11-21-17/h4-5,7,9-11,13,18H,3,6,8,12,14-15H2,1-2H3
• InChIKey: HJWWOQUMBOXHCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-methyl-6-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine-3-carboxamide
• IUPAC Traditional name: N-ethyl-N-methyl-6-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine-3-carboxamide
• Synonyms: N-ethyl-N-methyl-6-[3-(2-pyridinylmethoxy)-1-piperidinyl]nicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.028458
• LogD (pH = 7.4): 2.1184733
• Log P: 2.1197367
• Molar Refractivity: 102.4518 cm^3
• Polarizability: 38.632103 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.92
• LOG S: -1.27
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 6