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

• ChemBase ID: 297789
• Molecular Formular: C12H19ClN4O
• Molecular Mass: 270.75846
• Monoisotopic Mass: 270.12473893
• SMILES: CN(C)C(=O)c1cccnc1N1CCNCC1.Cl
• Canonical SMILES: CN(C(=O)c1cccnc1N1CCNCC1)C.Cl
• InChI: InChI=1S/C12H18N4O.ClH/c1-15(2)12(17)10-4-3-5-14-11(10)16-8-6-13-7-9-16;/h3-5,13H,6-9H2,1-2H3;1H
• InChIKey: YRPLJKUUYNCGQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-(piperazin-1-yl)pyridine-3-carboxamide hydrochloride
• IUPAC Traditional name: N,N-dimethyl-2-(piperazin-1-yl)pyridine-3-carboxamide hydrochloride
• Synonyms: N,N-Dimethyl-2-(1-piperazinyl)pyridine-3-carboxamide hydrochloride; N,N-Dimethyl-2-(1-piperazinyl)nicotinamide hydrochloride; N,N-二甲基-2-(1-哌嗪)烟碱盐酸盐

Database IDs

• CAS Number: 902836-08-2
• MDL Number: MFCD12407084
• PubChem SID: 180683320
• PubChem CID: 53418086

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7177658
• LogD (pH = 7.4): -1.1243404
• Log P: 0.22013885
• Molar Refractivity: 68.2704 cm^3
• Polarizability: 25.2544 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 96%