4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one

C14H19ClN4O2 — CID 63603736

IUPAC4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one
SMILESCCNc1cc(C(=O)N2CCNC(=O)C2CC)cc(Cl)n1
InChIInChI=1S/C14H19ClN4O2/c1-3-10-13(20)17-5-6-19(10)14(21)9-7-11(15)18-12(8-9)16-4-2/h7-8,10H,3-6H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyRLUZTCLOHLGWSX-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.52
Rot. Bonds4

About 4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one

4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one (PubChem CID 63603736) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one
PubChem CID63603736
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one
SMILESCCNc1cc(C(=O)N2CCNC(=O)C2CC)cc(Cl)n1
InChIInChI=1S/C14H19ClN4O2/c1-3-10-13(20)17-5-6-19(10)14(21)9-7-11(15)18-12(8-9)16-4-2/h7-8,10H,3-6H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyRLUZTCLOHLGWSX-UHFFFAOYSA-N
XLogP1.52
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one
CID 113378431
4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66068737
3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one
CID 80833586
3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080
methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 2431498
3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one
CID 80616748
4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one
CID 80833939
4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one
CID 63600677
3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
CID 55217695
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-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one (CID 63603736) is 4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one is CCNc1cc(C(=O)N2CCNC(=O)C2CC)cc(Cl)n1.
What is the InChIKey of 4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one?
The InChIKey is RLUZTCLOHLGWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-3-10-13(20)17-5-6-19(10)14(21)9-7-11(15)18-12(8-9)16-4-2/h7-8,10H,3-6H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of 4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one?
4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one has a molecular weight of 310.79 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 63603736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).