N-(6-methylpyridin-2-yl)-6-(pyrrolidin-2-yl)pyridin-2-amine hydrochloride

• ChemBase ID: 62321
• Molecular Formular: C15H19ClN4
• Molecular Mass: 290.79116
• Monoisotopic Mass: 290.12982431
• SMILES: n1c(Nc2nc(ccc2)C)cccc1C1NCCC1.Cl
• Canonical SMILES: Cc1cccc(n1)Nc1cccc(n1)C1CCCN1.Cl
• InChI: InChI=1S/C15H18N4.ClH/c1-11-5-2-8-14(17-11)19-15-9-3-6-13(18-15)12-7-4-10-16-12;/h2-3,5-6,8-9,12,16H,4,7,10H2,1H3,(H,17,18,19);1H
• InChIKey: ALEIXHMPFURCKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methylpyridin-2-yl)-6-(pyrrolidin-2-yl)pyridin-2-amine hydrochloride
• IUPAC Traditional name: N-(6-methylpyridin-2-yl)-6-(pyrrolidin-2-yl)pyridin-2-amine hydrochloride
• Synonyms: (6-Methyl-pyridin-2-yl)-(6-pyrrolidin-2-yl-pyridin-2-yl)-amine hydrochloride

Database IDs

• MDL Number: MFCD21605912
• PubChem SID: 162028060
• PubChem CID: 71298661

CALCULATED PROPERTIES

• Acid pKa: 13.6628895
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0885975
• LogD (pH = 7.4): 0.51909643
• Log P: 2.5556865
• Molar Refractivity: 75.461 cm^3
• Polarizability: 29.19628 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