4-[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-3,3-dimethylpiperazine-2,6-dione

C13H16N4O4 — CID 66075105

IUPAC4-[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C13H16N4O4/c1-13(2)12(21)15-9(18)6-17(13)11(20)7-16-5-8(14)3-4-10(16)19/h3-5H,6-7,14H2,1-2H3,(H,15,18,21)
InChIKeyMDWMHFKOCQDUII-UHFFFAOYSA-N
MW292.30 g/mol
LogP-1.31
Rot. Bonds2

About 4-[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-3,3-dimethylpiperazine-2,6-dione

4-[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66075105) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
PubChem CID66075105
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name4-[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C13H16N4O4/c1-13(2)12(21)15-9(18)6-17(13)11(20)7-16-5-8(14)3-4-10(16)19/h3-5H,6-7,14H2,1-2H3,(H,15,18,21)
InChIKeyMDWMHFKOCQDUII-UHFFFAOYSA-N
XLogP-1.31
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-1.31
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-[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-3,3-dimethylpiperazine-2,6-dione (CID 66075105) is 4-[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1C(=O)Cn1cc(N)ccc1=O.
What is the InChIKey of 4-[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is MDWMHFKOCQDUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-13(2)12(21)15-9(18)6-17(13)11(20)7-16-5-8(14)3-4-10(16)19/h3-5H,6-7,14H2,1-2H3,(H,15,18,21).
What are the key properties of 4-[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
4-[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 292.30 g/mol, XLogP of -1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66075105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).