4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one

C13H16ClN3O2 — CID 113378431

IUPAC4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C13H16ClN3O2/c1-3-10-12(18)15-4-5-17(10)13(19)9-6-8(2)16-11(14)7-9/h6-7,10H,3-5H2,1-2H3,(H,15,18)
InChIKeyCOKDWBIXYORWFZ-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.39
Rot. Bonds2

About 4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one

4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one (PubChem CID 113378431) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one
PubChem CID113378431
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C13H16ClN3O2/c1-3-10-12(18)15-4-5-17(10)13(19)9-6-8(2)16-11(14)7-9/h6-7,10H,3-5H2,1-2H3,(H,15,18)
InChIKeyCOKDWBIXYORWFZ-UHFFFAOYSA-N
XLogP1.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one
CID 63603736
4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66068737
4-(2-chloro-5-sulfanylbenzoyl)-3-ethylpiperazin-2-one
CID 107029813
(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
CID 1382904
3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080
3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
CID 55217695
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701
3-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980
1-(2-chloro-6-methylpyridine-4-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103195179
4-(5-bromo-2-chloropyridine-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601394
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one (CID 113378431) is 4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)c1cc(C)nc(Cl)c1.
What is the InChIKey of 4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one?
The InChIKey is COKDWBIXYORWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-3-10-12(18)15-4-5-17(10)13(19)9-6-8(2)16-11(14)7-9/h6-7,10H,3-5H2,1-2H3,(H,15,18).
What are the key properties of 4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one?
4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one has a molecular weight of 281.74 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 113378431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).