3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide

C17H16ClN3O4S — CID 109106515

IUPAC3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
SMILESO=C(Nc1ccccc1Cl)c1cncc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H16ClN3O4S/c18-14-3-1-2-4-15(14)21-17(23)12-7-11(8-19-9-12)16(22)20-13-5-6-26(24,25)10-13/h1-4,7-9,13H,5-6,10H2,(H,20,22)(H,21,23)
InChIKeyVJNDPIRSDWMEPV-UHFFFAOYSA-N
MW393.85 g/mol
LogP1.90
Rot. Bonds4

About 3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide

3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide (PubChem CID 109106515) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is 3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
PubChem CID109106515
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
SMILESO=C(Nc1ccccc1Cl)c1cncc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H16ClN3O4S/c18-14-3-1-2-4-15(14)21-17(23)12-7-11(8-19-9-12)16(22)20-13-5-6-26(24,25)10-13/h1-4,7-9,13H,5-6,10H2,(H,20,22)(H,21,23)
InChIKeyVJNDPIRSDWMEPV-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

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Related Compounds

N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260888
1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 7256191
5-N-(1,1-dioxothiolan-3-yl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106500
N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109237184
N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102518
5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109106519
5-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109237170
5-N-(2-chlorophenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107777
5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101245
3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106512
N-(2-chlorophenyl)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226175
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide (CID 109106515) is 3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide is O=C(Nc1ccccc1Cl)c1cncc(C(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide?
The InChIKey is VJNDPIRSDWMEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c18-14-3-1-2-4-15(14)21-17(23)12-7-11(8-19-9-12)16(22)20-13-5-6-26(24,25)10-13/h1-4,7-9,13H,5-6,10H2,(H,20,22)(H,21,23).
What are the key properties of 3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide?
3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-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 3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).