N,1-dimethyl-1,2,5,6-tetrahydropyridine-3-carboxamide hydrobromide

• ChemBase ID: 225353
• Molecular Formular: C8H15BrN2O
• Molecular Mass: 235.1215
• Monoisotopic Mass: 234.03677511
• SMILES: C1(=CCCN(C1)C)C(=O)NC.Br
• Canonical SMILES: CNC(=O)C1=CCCN(C1)C.Br
• InChI: InChI=1S/C8H14N2O.BrH/c1-9-8(11)7-4-3-5-10(2)6-7;/h4H,3,5-6H2,1-2H3,(H,9,11);1H
• InChIKey: OVANDICGHAQAKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dimethyl-1,2,5,6-tetrahydropyridine-3-carboxamide hydrobromide
• IUPAC Traditional name: N,1-dimethyl-5,6-dihydro-2H-pyridine-3-carboxamide hydrobromide

Database IDs

• PubChem SID: 164281263
• PubChem CID: 56763561

CALCULATED PROPERTIES

• Acid pKa: 16.219027
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3740919
• LogD (pH = 7.4): -1.6846858
• Log P: -0.3136913
• Molar Refractivity: 45.8108 cm^3
• Polarizability: 17.228497 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HBr
• Classification: Derivatives & analogs of Natural Compounds