6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid

C11H11N3O4 — CID 66075438

IUPAC6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid
SMILESCC1C(=O)NC(=O)CN1c1cccc(C(=O)O)n1
InChIInChI=1S/C11H11N3O4/c1-6-10(16)13-9(15)5-14(6)8-4-2-3-7(12-8)11(17)18/h2-4,6H,5H2,1H3,(H,17,18)(H,13,15,16)
InChIKeyMFZDKZJAUWQRJY-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.37
Rot. Bonds2

About 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid

6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid (PubChem CID 66075438) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid
PubChem CID66075438
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid
SMILESCC1C(=O)NC(=O)CN1c1cccc(C(=O)O)n1
InChIInChI=1S/C11H11N3O4/c1-6-10(16)13-9(15)5-14(6)8-4-2-3-7(12-8)11(17)18/h2-4,6H,5H2,1H3,(H,17,18)(H,13,15,16)
InChIKeyMFZDKZJAUWQRJY-UHFFFAOYSA-N
XLogP-0.37
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.37
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-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione
CID 79827948
6-[(2-ethyl-3,5-dioxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904217
4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 80851303
6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 62254825
4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione
CID 66233228
6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 94378498
6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-2-carboxylic acid
CID 62239218
4-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione
CID 66073903
4-(6-acetyl-3-pyridinyl)-3-methylpiperazine-2,6-dione
CID 83119029
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
3-methyl-4-(6-propanoyl-3-pyridinyl)piperazine-2,6-dione
CID 112583695
3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80851054

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid (CID 66075438) is 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid is CC1C(=O)NC(=O)CN1c1cccc(C(=O)O)n1.
What is the InChIKey of 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is MFZDKZJAUWQRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-6-10(16)13-9(15)5-14(6)8-4-2-3-7(12-8)11(17)18/h2-4,6H,5H2,1H3,(H,17,18)(H,13,15,16).
What are the key properties of 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid?
6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 66075438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).