N-methyl-3-{1-[(6-methylpyridin-2-yl)methyl]piperidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]propanamide

• ChemBase ID: 508919
• Molecular Formular: C23H32N4O
• Molecular Mass: 380.52638
• Monoisotopic Mass: 380.25761166
• SMILES: N1(Cc2nc(ccc2)C)CC(CCC(=O)N(CCc2ncccc2)C)CCC1
• Canonical SMILES: Cc1cccc(n1)CN1CCCC(C1)CCC(=O)N(CCc1ccccn1)C
• InChI: InChI=1S/C23H32N4O/c1-19-7-5-10-22(25-19)18-27-15-6-8-20(17-27)11-12-23(28)26(2)16-13-21-9-3-4-14-24-21/h3-5,7,9-10,14,20H,6,8,11-13,15-18H2,1-2H3
• InChIKey: KTNZKWTYXOFPFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-{1-[(6-methylpyridin-2-yl)methyl]piperidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]propanamide
• IUPAC Traditional name: N-methyl-3-{1-[(6-methylpyridin-2-yl)methyl]piperidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]propanamide
• Synonyms: N-methyl-3-{1-[(6-methyl-2-pyridinyl)methyl]-3-piperidinyl}-N-[2-(2-pyridinyl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.17807934
• LogD (pH = 7.4): 1.599617
• Log P: 2.1597416
• Molar Refractivity: 112.2426 cm^3
• Polarizability: 44.002663 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.79
• LOG S: -3.65
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 8