5-(2,3-dioxo-1H-indol-5-yl)-N-sulfinylpyridine-3-carboxamide

C14H7N3O4S — CID 89050713

IUPAC5-(2,3-dioxo-1H-indol-5-yl)-N-sulfinylpyridine-3-carboxamide
SMILESO=S=NC(=O)c1cncc(-c2ccc3c(c2)C(=O)C(=O)N3)c1
InChIInChI=1S/C14H7N3O4S/c18-12-10-4-7(1-2-11(10)16-14(12)20)8-3-9(6-15-5-8)13(19)17-22-21/h1-6H,(H,16,18,20)
InChIKeyQKCOHZNSRHPCLI-UHFFFAOYSA-N
MW313.29 g/mol
LogP1.42
Rot. Bonds2

About 5-(2,3-dioxo-1H-indol-5-yl)-N-sulfinylpyridine-3-carboxamide

5-(2,3-dioxo-1H-indol-5-yl)-N-sulfinylpyridine-3-carboxamide (PubChem CID 89050713) has the molecular formula C14H7N3O4S and a molecular weight of 313.29 g/mol. Its IUPAC name is 5-(2,3-dioxo-1H-indol-5-yl)-N-sulfinylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dioxo-1H-indol-5-yl)-N-sulfinylpyridine-3-carboxamide
PubChem CID89050713
Molecular FormulaC14H7N3O4S
Molecular Weight313.29 g/mol
Exact Mass313.02
IUPAC Name5-(2,3-dioxo-1H-indol-5-yl)-N-sulfinylpyridine-3-carboxamide
SMILESO=S=NC(=O)c1cncc(-c2ccc3c(c2)C(=O)C(=O)N3)c1
InChIInChI=1S/C14H7N3O4S/c18-12-10-4-7(1-2-11(10)16-14(12)20)8-3-9(6-15-5-8)13(19)17-22-21/h1-6H,(H,16,18,20)
InChIKeyQKCOHZNSRHPCLI-UHFFFAOYSA-N
XLogP1.42
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2,3-dioxo-1H-indol-5-yl)-N-sulfinylpyridine-3-carboxamide 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 5-(2,3-dioxo-1H-indol-5-yl)-N-sulfinylpyridine-3-carboxamide?
The IUPAC name of 5-(2,3-dioxo-1H-indol-5-yl)-N-sulfinylpyridine-3-carboxamide (CID 89050713) is 5-(2,3-dioxo-1H-indol-5-yl)-N-sulfinylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2,3-dioxo-1H-indol-5-yl)-N-sulfinylpyridine-3-carboxamide?
The canonical SMILES for 5-(2,3-dioxo-1H-indol-5-yl)-N-sulfinylpyridine-3-carboxamide is O=S=NC(=O)c1cncc(-c2ccc3c(c2)C(=O)C(=O)N3)c1.
What is the InChIKey of 5-(2,3-dioxo-1H-indol-5-yl)-N-sulfinylpyridine-3-carboxamide?
The InChIKey is QKCOHZNSRHPCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N3O4S/c18-12-10-4-7(1-2-11(10)16-14(12)20)8-3-9(6-15-5-8)13(19)17-22-21/h1-6H,(H,16,18,20).
What are the key properties of 5-(2,3-dioxo-1H-indol-5-yl)-N-sulfinylpyridine-3-carboxamide?
5-(2,3-dioxo-1H-indol-5-yl)-N-sulfinylpyridine-3-carboxamide has a molecular weight of 313.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dioxo-1H-indol-5-yl)-N-sulfinylpyridine-3-carboxamide is sourced from PubChem (CID 89050713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).