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

• ChemBase ID: 494922
• Molecular Formular: C24H32N4O2
• Molecular Mass: 408.53648
• Monoisotopic Mass: 408.25252628
• SMILES: N1(C(=O)CCc2cnccc2)CC(CCC(=O)N(CCc2ncccc2)C)CCC1
• Canonical SMILES: CN(C(=O)CCC1CCCN(C1)C(=O)CCc1cccnc1)CCc1ccccn1
• InChI: InChI=1S/C24H32N4O2/c1-27(17-13-22-8-2-3-15-26-22)23(29)11-10-21-7-5-16-28(19-21)24(30)12-9-20-6-4-14-25-18-20/h2-4,6,8,14-15,18,21H,5,7,9-13,16-17,19H2,1H3
• InChIKey: AKUZEUWFEKIGIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5923438
• LogD (pH = 7.4): 1.7263225
• Log P: 1.7282292
• Molar Refractivity: 117.1548 cm^3
• Polarizability: 45.592228 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.2
• LOG S: -3.89
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 9