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

• ChemBase ID: 62353
• Molecular Formular: C15H19N5
• Molecular Mass: 269.34486
• Monoisotopic Mass: 269.16404563
• SMILES: n1c(cc(Nc2nccnc2)cc1C)C1CNCCC1
• Canonical SMILES: Cc1cc(cc(n1)C1CCCNC1)Nc1cnccn1
• InChI: InChI=1S/C15H19N5/c1-11-7-13(20-15-10-17-5-6-18-15)8-14(19-11)12-3-2-4-16-9-12/h5-8,10,12,16H,2-4,9H2,1H3,(H,18,19,20)
• InChIKey: XQJAUQVNKMVBIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19691433
• PubChem SID: 162028092
• PubChem CID: 66509669

CALCULATED PROPERTIES

• Acid pKa: 14.649999
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.6268299
• LogD (pH = 7.4): -1.5474834
• Log P: 0.87683755
• Molar Refractivity: 77.8476 cm^3
• Polarizability: 30.055923 Å^3
• Polar Surface Area: 62.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false