N-cyclopropyl-2-(piperazin-1-yl)pyridine-3-carboxamide hydrochloride

• ChemBase ID: 297791
• Molecular Formular: C13H19ClN4O
• Molecular Mass: 282.76916
• Monoisotopic Mass: 282.12473893
• SMILES: c1cc(c(nc1)N1CCNCC1)C(=O)NC1CC1.Cl
• Canonical SMILES: O=C(c1cccnc1N1CCNCC1)NC1CC1.Cl
• InChI: InChI=1S/C13H18N4O.ClH/c18-13(16-10-3-4-10)11-2-1-5-15-12(11)17-8-6-14-7-9-17;/h1-2,5,10,14H,3-4,6-9H2,(H,16,18);1H
• InChIKey: SFEPAYLNRZVCMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-(piperazin-1-yl)pyridine-3-carboxamide hydrochloride
• IUPAC Traditional name: N-cyclopropyl-2-(piperazin-1-yl)pyridine-3-carboxamide hydrochloride
• Synonyms: 1-[3-(N-Cyclopropylcarbamoyl)-2-pyridyl]piperazine hydrochloride; N-Cyclopropyl-2-(1-piperazinyl)nicotinamide hydrochloride; N-环丙基-2-(1-哌嗪基)烟碱盐酸盐

Database IDs

• CAS Number: 902836-65-1
• MDL Number: MFCD12407085
• PubChem SID: 180683322
• PubChem CID: 53418097

CALCULATED PROPERTIES

• Acid pKa: 14.311026
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.4761114
• LogD (pH = 7.4): -0.8827969
• Log P: 0.4620273
• Molar Refractivity: 70.5849 cm^3
• Polarizability: 26.36928 Å^3
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%