N-methyl-N-propyl-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-amine

• ChemBase ID: 466953
• Molecular Formular: C20H26N4O2
• Molecular Mass: 354.44604
• Monoisotopic Mass: 354.20557609
• SMILES: C(=O)(N1CCC(CC1)Oc1cnccc1)c1cnc(N(CCC)C)cc1
• Canonical SMILES: CCCN(c1ccc(cn1)C(=O)N1CCC(CC1)Oc1cccnc1)C
• InChI: InChI=1S/C20H26N4O2/c1-3-11-23(2)19-7-6-16(14-22-19)20(25)24-12-8-17(9-13-24)26-18-5-4-10-21-15-18/h4-7,10,14-15,17H,3,8-9,11-13H2,1-2H3
• InChIKey: WFTGDLNBJJJDEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-propyl-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC Traditional name: N-methyl-N-propyl-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-amine
• Synonyms: N-methyl-N-propyl-5-{[4-(pyridin-3-yloxy)piperidin-1-yl]carbonyl}pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9078649
• LogD (pH = 7.4): 2.0676615
• Log P: 2.0699363
• Molar Refractivity: 102.6149 cm^3
• Polarizability: 38.62205 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: 2.45
• LOG S: -3.88
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 6