2-methyl-6-(piperidin-3-yl)-N-(pyridin-2-yl)pyridin-4-amine

• ChemBase ID: 62352
• Molecular Formular: C16H20N4
• Molecular Mass: 268.3568
• Monoisotopic Mass: 268.16879666
• SMILES: n1c(cc(Nc2ncccc2)cc1C)C1CNCCC1
• Canonical SMILES: Cc1cc(cc(n1)C1CCCNC1)Nc1ccccn1
• InChI: InChI=1S/C16H20N4/c1-12-9-14(20-16-6-2-3-8-18-16)10-15(19-12)13-5-4-7-17-11-13/h2-3,6,8-10,13,17H,4-5,7,11H2,1H3,(H,18,19,20)
• InChIKey: NYQKTIRVZVATCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(piperidin-3-yl)-N-(pyridin-2-yl)pyridin-4-amine
• IUPAC Traditional name: 2-methyl-6-(piperidin-3-yl)-N-(pyridin-2-yl)pyridin-4-amine
• Synonyms: (6-Methyl-1',2',3',4',5',6'-hexahydro-[2,3']bipyridinyl-4-yl)-pyridin-2-yl-amine

Database IDs

• MDL Number: MFCD19691432
• PubChem SID: 162028091
• PubChem CID: 66509668

CALCULATED PROPERTIES

• Acid pKa: 16.329662
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.582866
• LogD (pH = 7.4): -0.34088317
• Log P: 2.0945098
• Molar Refractivity: 80.0045 cm^3
• Polarizability: 30.9613 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false