5-[3-(piperidine-1-carbonyl)pyridin-2-yl]pyridin-3-amine

• ChemBase ID: 581304
• Molecular Formular: C16H18N4O
• Molecular Mass: 282.34032
• Monoisotopic Mass: 282.14806122
• SMILES: c1(C(=O)N2CCCCC2)c(c2cc(N)cnc2)nccc1
• Canonical SMILES: Nc1cncc(c1)c1ncccc1C(=O)N1CCCCC1
• InChI: InChI=1S/C16H18N4O/c17-13-9-12(10-18-11-13)15-14(5-4-6-19-15)16(21)20-7-2-1-3-8-20/h4-6,9-11H,1-3,7-8,17H2
• InChIKey: WWHVVCSXTNDRAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(piperidine-1-carbonyl)pyridin-2-yl]pyridin-3-amine
• IUPAC Traditional name: 5-[3-(piperidine-1-carbonyl)pyridin-2-yl]pyridin-3-amine
• Synonyms: 3-(piperidin-1-ylcarbonyl)-2,3'-bipyridin-5'-amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 2
• H Acceptors: 3
• H Donor: 1
• Log P: -0.44
• LOG S: -2.19
• Polar Surface Area: 72.11 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8266188
• LogD (pH = 7.4): 0.8895303
• Log P: 0.89040923
• Molar Refractivity: 82.2226 cm^3
• Polarizability: 31.944778 Å^3
• Polar Surface Area: 72.11 Å^2
• Rotatable Bonds: 2