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

• ChemBase ID: 532614
• Molecular Formular: C20H26N4O2
• Molecular Mass: 354.44604
• Monoisotopic Mass: 354.20557609
• SMILES: C(=O)(N1CCC(CC1)Oc1cnccc1)c1cnc(NC(CC)C)cc1
• Canonical SMILES: CCC(Nc1ccc(cn1)C(=O)N1CCC(CC1)Oc1cccnc1)C
• InChI: InChI=1S/C20H26N4O2/c1-3-15(2)23-19-7-6-16(13-22-19)20(25)24-11-8-17(9-12-24)26-18-5-4-10-21-14-18/h4-7,10,13-15,17H,3,8-9,11-12H2,1-2H3,(H,22,23)
• InChIKey: PTNXLEBQHSKRCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(butan-2-yl)-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC Traditional name: 5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]-N-(sec-butyl)pyridin-2-amine
• Synonyms: N-(sec-butyl)-5-{[4-(3-pyridinyloxy)-1-piperidinyl]carbonyl}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6620686
• LogD (pH = 7.4): 1.8485272
• Log P: 1.8512456
• Molar Refractivity: 102.7989 cm^3
• Polarizability: 38.622486 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.37
• LOG S: -4.68
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 5