N-(pyridin-2-yl)-6-(pyrrolidin-2-yl)pyridin-3-amine dihydrochloride

• ChemBase ID: 62342
• Molecular Formular: C14H18Cl2N4
• Molecular Mass: 313.22552
• Monoisotopic Mass: 312.09085196
• SMILES: n1c(C2NCCC2)ccc(Nc2ncccc2)c1.Cl.Cl
• Canonical SMILES: C1CNC(C1)c1ccc(cn1)Nc1ccccn1.Cl.Cl
• InChI: InChI=1S/C14H16N4.2ClH/c1-2-8-16-14(5-1)18-11-6-7-13(17-10-11)12-4-3-9-15-12;;/h1-2,5-8,10,12,15H,3-4,9H2,(H,16,18);2*1H
• InChIKey: WBCSBQSJCQUPIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyridin-2-yl)-6-(pyrrolidin-2-yl)pyridin-3-amine dihydrochloride
• IUPAC Traditional name: N-(pyridin-2-yl)-6-(pyrrolidin-2-yl)pyridin-3-amine dihydrochloride
• Synonyms: Pyridin-2-yl-(6-pyrrolidin-2-yl-pyridin-3-yl)-amine dihydrochloride

Database IDs

• MDL Number: MFCD21605931
• PubChem SID: 162028081
• PubChem CID: 71298679

CALCULATED PROPERTIES

• Acid pKa: 15.305645
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5522375
• LogD (pH = 7.4): -0.23972568
• Log P: 1.8298588
• Molar Refractivity: 70.556 cm^3
• Polarizability: 27.42941 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