1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid

C22H36N2O4Sn — CID 67830511

IUPAC1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid
SMILESCCCC[Sn](CCCC)(CCCC)C1=CN(N2C(=O)CCC2=O)CC(C(=O)O)=C1
InChIInChI=1S/C10H9N2O4.3C4H9.Sn/c13-8-3-4-9(14)12(8)11-5-1-2-7(6-11)10(15)16;3*1-3-4-2;/h2,5H,3-4,6H2,(H,15,16);3*1,3-4H2,2H3;
InChIKeyLEHSMJCSRRWJSF-UHFFFAOYSA-N
MW511.25 g/mol
LogP4.65
Rot. Bonds12

About 1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid

1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid (PubChem CID 67830511) has the molecular formula C22H36N2O4Sn and a molecular weight of 511.25 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid
PubChem CID67830511
Molecular FormulaC22H36N2O4Sn
Molecular Weight511.25 g/mol
Exact Mass512.17
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid
SMILESCCCC[Sn](CCCC)(CCCC)C1=CN(N2C(=O)CCC2=O)CC(C(=O)O)=C1
InChIInChI=1S/C10H9N2O4.3C4H9.Sn/c13-8-3-4-9(14)12(8)11-5-1-2-7(6-11)10(15)16;3*1-3-4-2;/h2,5H,3-4,6H2,(H,15,16);3*1,3-4H2,2H3;
InChIKeyLEHSMJCSRRWJSF-UHFFFAOYSA-N
XLogP4.65
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.25
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid?
The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid (CID 67830511) is 1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid is CCCC[Sn](CCCC)(CCCC)C1=CN(N2C(=O)CCC2=O)CC(C(=O)O)=C1.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid?
The InChIKey is LEHSMJCSRRWJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2O4.3C4H9.Sn/c13-8-3-4-9(14)12(8)11-5-1-2-7(6-11)10(15)16;3*1-3-4-2;/h2,5H,3-4,6H2,(H,15,16);3*1,3-4H2,2H3;.
What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid?
1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid has a molecular weight of 511.25 g/mol, XLogP of 4.65, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid is sourced from PubChem (CID 67830511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).