4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide

C17H16ClN3O4S — CID 109088370

IUPAC4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccnc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H16ClN3O4S/c18-12-2-1-3-13(9-12)20-16(22)11-4-6-19-15(8-11)17(23)21-14-5-7-26(24,25)10-14/h1-4,6,8-9,14H,5,7,10H2,(H,20,22)(H,21,23)
InChIKeyUXGXTINLBNRHLC-UHFFFAOYSA-N
MW393.85 g/mol
LogP1.90
Rot. Bonds4

About 4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide

4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide (PubChem CID 109088370) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
PubChem CID109088370
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccnc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H16ClN3O4S/c18-12-2-1-3-13(9-12)20-16(22)11-4-6-19-15(8-11)17(23)21-14-5-7-26(24,25)10-14/h1-4,6,8-9,14H,5,7,10H2,(H,20,22)(H,21,23)
InChIKeyUXGXTINLBNRHLC-UHFFFAOYSA-N
XLogP1.90
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088375
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109088353
4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088380
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193168
2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081008
4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088358
6-N-(1,1-dioxothiolan-3-yl)-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109098727
2-N-(3-chlorophenyl)-4-N-(3,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091882
2-N-cyclopropyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109078757
3-chloro-N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide
CID 112983803
4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077860

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide (CID 109088370) is 4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide is O=C(Nc1cccc(Cl)c1)c1ccnc(C(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide?
The InChIKey is UXGXTINLBNRHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c18-12-2-1-3-13(9-12)20-16(22)11-4-6-19-15(8-11)17(23)21-14-5-7-26(24,25)10-14/h1-4,6,8-9,14H,5,7,10H2,(H,20,22)(H,21,23).
What are the key properties of 4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide?
4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide has a molecular weight of 393.85 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).