4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione

C13H18N4O3 — CID 66069258

IUPAC4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione
SMILESCCOc1nc(N2CC(=O)NC(=O)C2CC)ccc1N
InChIInChI=1S/C13H18N4O3/c1-3-9-12(19)16-11(18)7-17(9)10-6-5-8(14)13(15-10)20-4-2/h5-6,9H,3-4,7,14H2,1-2H3,(H,16,18,19)
InChIKeyRVELTUUMXMFOEE-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.30
Rot. Bonds4

About 4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione

4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione (PubChem CID 66069258) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione
PubChem CID66069258
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione
SMILESCCOc1nc(N2CC(=O)NC(=O)C2CC)ccc1N
InChIInChI=1S/C13H18N4O3/c1-3-9-12(19)16-11(18)7-17(9)10-6-5-8(14)13(15-10)20-4-2/h5-6,9H,3-4,7,14H2,1-2H3,(H,16,18,19)
InChIKeyRVELTUUMXMFOEE-UHFFFAOYSA-N
XLogP0.30
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(5-amino-6-ethoxy-2-pyridinyl)piperazine-2,6-dione
CID 66084677
4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione
CID 66061314
4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
CID 80850984
5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide
CID 114406910
4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione
CID 66069180
4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione
CID 80925206
4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione
CID 66068288
3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione
CID 80850902
4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione
CID 79827948
4-(2-amino-4-methylphenyl)-3-ethylpiperazine-2,6-dione
CID 66069644
2-ethoxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridin-3-amine
CID 102742804
6-(2,4-dimethylpiperidin-1-yl)-2-ethoxypyridin-3-amine
CID 55061897

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione (CID 66069258) is 4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione is CCOc1nc(N2CC(=O)NC(=O)C2CC)ccc1N.
What is the InChIKey of 4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is RVELTUUMXMFOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-3-9-12(19)16-11(18)7-17(9)10-6-5-8(14)13(15-10)20-4-2/h5-6,9H,3-4,7,14H2,1-2H3,(H,16,18,19).
What are the key properties of 4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione?
4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 278.31 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66069258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).