N-methyl-6-(pyrrolidin-2-yl)pyridine-2-carboxamide hydrochloride

• ChemBase ID: 62794
• Molecular Formular: C11H16ClN3O
• Molecular Mass: 241.71724
• Monoisotopic Mass: 241.09818983
• SMILES: n1c(C(=O)NC)cccc1C1CCCN1.Cl
• Canonical SMILES: CNC(=O)c1cccc(n1)C1CCCN1.Cl
• InChI: InChI=1S/C11H15N3O.ClH/c1-12-11(15)10-5-2-4-9(14-10)8-6-3-7-13-8;/h2,4-5,8,13H,3,6-7H2,1H3,(H,12,15);1H
• InChIKey: QSJDHIDSBJGLME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-6-(pyrrolidin-2-yl)pyridine-2-carboxamide hydrochloride
• IUPAC Traditional name: N-methyl-6-(pyrrolidin-2-yl)pyridine-2-carboxamide hydrochloride
• Synonyms: 6-Pyrrolidin-2-yl-pyridine-2-carboxylic acid methylamide hydrochloride

Database IDs

• MDL Number: MFCD21606073
• PubChem SID: 162028533
• PubChem CID: 71298807

CALCULATED PROPERTIES

• Acid pKa: 14.396031
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5780535
• LogD (pH = 7.4): -1.1280172
• Log P: 0.47331455
• Molar Refractivity: 57.5163 cm^3
• Polarizability: 22.269913 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false