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

C11H14N4O3 — CID 66084677

IUPAC4-(5-amino-6-ethoxy-2-pyridinyl)piperazine-2,6-dione
SMILESCCOc1nc(N2CC(=O)NC(=O)C2)ccc1N
InChIInChI=1S/C11H14N4O3/c1-2-18-11-7(12)3-4-8(13-11)15-5-9(16)14-10(17)6-15/h3-4H,2,5-6,12H2,1H3,(H,14,16,17)
InChIKeyWYXHGUKNEGLBOB-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.47
Rot. Bonds3

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

4-(5-amino-6-ethoxy-2-pyridinyl)piperazine-2,6-dione (PubChem CID 66084677) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-(5-amino-6-ethoxy-2-pyridinyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-amino-6-ethoxy-2-pyridinyl)piperazine-2,6-dione
PubChem CID66084677
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name4-(5-amino-6-ethoxy-2-pyridinyl)piperazine-2,6-dione
SMILESCCOc1nc(N2CC(=O)NC(=O)C2)ccc1N
InChIInChI=1S/C11H14N4O3/c1-2-18-11-7(12)3-4-8(13-11)15-5-9(16)14-10(17)6-15/h3-4H,2,5-6,12H2,1H3,(H,14,16,17)
InChIKeyWYXHGUKNEGLBOB-UHFFFAOYSA-N
XLogP-0.47
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-6-ethoxy-2-pyridinyl)piperazine-2,6-dione?
The IUPAC name of 4-(5-amino-6-ethoxy-2-pyridinyl)piperazine-2,6-dione (CID 66084677) is 4-(5-amino-6-ethoxy-2-pyridinyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(5-amino-6-ethoxy-2-pyridinyl)piperazine-2,6-dione?
The canonical SMILES for 4-(5-amino-6-ethoxy-2-pyridinyl)piperazine-2,6-dione is CCOc1nc(N2CC(=O)NC(=O)C2)ccc1N.
What is the InChIKey of 4-(5-amino-6-ethoxy-2-pyridinyl)piperazine-2,6-dione?
The InChIKey is WYXHGUKNEGLBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-2-18-11-7(12)3-4-8(13-11)15-5-9(16)14-10(17)6-15/h3-4H,2,5-6,12H2,1H3,(H,14,16,17).
What are the key properties of 4-(5-amino-6-ethoxy-2-pyridinyl)piperazine-2,6-dione?
4-(5-amino-6-ethoxy-2-pyridinyl)piperazine-2,6-dione has a molecular weight of 250.26 g/mol, XLogP of -0.47, 3 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)piperazine-2,6-dione is sourced from PubChem (CID 66084677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).