3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione

C13H18N4O2 — CID 80850902

IUPAC3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione
SMILESCCNc1cccc(N2CC(=O)NC(=O)C2CC)n1
InChIInChI=1S/C13H18N4O2/c1-3-9-13(19)16-12(18)8-17(9)11-7-5-6-10(15-11)14-4-2/h5-7,9H,3-4,8H2,1-2H3,(H,14,15)(H,16,18,19)
InChIKeyJQZVFDMXOAQWCJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.75
Rot. Bonds4

About 3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione

3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione (PubChem CID 80850902) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione
PubChem CID80850902
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione
SMILESCCNc1cccc(N2CC(=O)NC(=O)C2CC)n1
InChIInChI=1S/C13H18N4O2/c1-3-9-13(19)16-12(18)8-17(9)11-7-5-6-10(15-11)14-4-2/h5-7,9H,3-4,8H2,1-2H3,(H,14,15)(H,16,18,19)
InChIKeyJQZVFDMXOAQWCJ-UHFFFAOYSA-N
XLogP0.75
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[6-(ethylamino)-2-pyridinyl]piperazin-2-one
CID 80763941
4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
CID 80850984
4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazine-2,6-dione
CID 80851228
1-[6-(ethylamino)-2-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198668
4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione
CID 66069258
4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
CID 80547174
3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one
CID 80833586
2-amino-3-(2-ethyl-3,5-dioxopiperazin-1-yl)benzenesulfonamide
CID 115992830
6-(azepan-1-yl)-N-ethylpyridin-2-amine
CID 80764538
4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 80851303
4-[3-(aminomethyl)-2-pyridinyl]-3-ethylpiperazine-2,6-dione
CID 66068862
4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one
CID 80833939

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione (CID 80850902) is 3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione is CCNc1cccc(N2CC(=O)NC(=O)C2CC)n1.
What is the InChIKey of 3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione?
The InChIKey is JQZVFDMXOAQWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-9-13(19)16-12(18)8-17(9)11-7-5-6-10(15-11)14-4-2/h5-7,9H,3-4,8H2,1-2H3,(H,14,15)(H,16,18,19).
What are the key properties of 3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione?
3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione has a molecular weight of 262.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione is sourced from PubChem (CID 80850902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).