2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid

C14H16N2O4 — CID 63653070

IUPAC2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCC(C)C1(C)CC(=O)N(c2ncccc2C(=O)O)C1=O
InChIInChI=1S/C14H16N2O4/c1-8(2)14(3)7-10(17)16(13(14)20)11-9(12(18)19)5-4-6-15-11/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyUGWNAWCOKZJADS-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.71
Rot. Bonds3

About 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid

2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 63653070) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid
PubChem CID63653070
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCC(C)C1(C)CC(=O)N(c2ncccc2C(=O)O)C1=O
InChIInChI=1S/C14H16N2O4/c1-8(2)14(3)7-10(17)16(13(14)20)11-9(12(18)19)5-4-6-15-11/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyUGWNAWCOKZJADS-UHFFFAOYSA-N
XLogP1.71
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid (CID 63653070) is 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid is CC(C)C1(C)CC(=O)N(c2ncccc2C(=O)O)C1=O.
What is the InChIKey of 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is UGWNAWCOKZJADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8(2)14(3)7-10(17)16(13(14)20)11-9(12(18)19)5-4-6-15-11/h4-6,8H,7H2,1-3H3,(H,18,19).
What are the key properties of 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63653070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).