5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride

C13H19Cl3N4O2 — CID 119454701

IUPAC5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cn1.Cl.Cl
InChIInChI=1S/C13H17ClN4O2.2ClH/c1-17(9-12(19)18-6-4-15-5-7-18)13(20)11-3-2-10(14)8-16-11;;/h2-3,8,15H,4-7,9H2,1H3;2*1H
InChIKeyQKAPTSILJIPARY-UHFFFAOYSA-N
MW369.68 g/mol
LogP1.08
Rot. Bonds3

About 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride

5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride (PubChem CID 119454701) has the molecular formula C13H19Cl3N4O2 and a molecular weight of 369.68 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride
PubChem CID119454701
Molecular FormulaC13H19Cl3N4O2
Molecular Weight369.68 g/mol
Exact Mass368.06
IUPAC Name5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cn1.Cl.Cl
InChIInChI=1S/C13H17ClN4O2.2ClH/c1-17(9-12(19)18-6-4-15-5-7-18)13(20)11-3-2-10(14)8-16-11;;/h2-3,8,15H,4-7,9H2,1H3;2*1H
InChIKeyQKAPTSILJIPARY-UHFFFAOYSA-N
XLogP1.08
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.68
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454929
2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454727
2-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805865
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119454974
5-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 126994087
5-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 63723539
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 64951471
4-ethyl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454501
N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119454691
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 65198629
5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454675
4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454852

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride (CID 119454701) is 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride is CN(CC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cn1.Cl.Cl.
What is the InChIKey of 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride?
The InChIKey is QKAPTSILJIPARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2.2ClH/c1-17(9-12(19)18-6-4-15-5-7-18)13(20)11-3-2-10(14)8-16-11;;/h2-3,8,15H,4-7,9H2,1H3;2*1H.
What are the key properties of 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride?
5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride has a molecular weight of 369.68 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119454701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).