5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide

C13H9Cl2N3O2S — CID 146323492

IUPAC5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(C#N)c(Cl)s2)cc(Cl)c1=O
InChIInChI=1S/C13H9Cl2N3O2S/c1-2-18-6-8(4-9(14)13(18)20)17-12(19)10-3-7(5-16)11(15)21-10/h3-4,6H,2H2,1H3,(H,17,19)
InChIKeyJXIRMOSTLZKWKN-UHFFFAOYSA-N
MW342.21 g/mol
LogP3.36
Rot. Bonds3

About 5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide

5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide (PubChem CID 146323492) has the molecular formula C13H9Cl2N3O2S and a molecular weight of 342.21 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide
PubChem CID146323492
Molecular FormulaC13H9Cl2N3O2S
Molecular Weight342.21 g/mol
Exact Mass340.98
IUPAC Name5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(C#N)c(Cl)s2)cc(Cl)c1=O
InChIInChI=1S/C13H9Cl2N3O2S/c1-2-18-6-8(4-9(14)13(18)20)17-12(19)10-3-7(5-16)11(15)21-10/h3-4,6H,2H2,1H3,(H,17,19)
InChIKeyJXIRMOSTLZKWKN-UHFFFAOYSA-N
XLogP3.36
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dichloro-N-(1-ethyl-5-methoxy-6-oxo-3-pyridinyl)thiophene-2-carboxamide
CID 146323367
4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide
CID 146323464
N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide
CID 146323136
2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 146323132
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-5-methoxythiophene-2-carboxamide
CID 146323371
4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide
CID 146323188
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methylsulfanylthiophene-2-carboxamide
CID 146323308
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide
CID 146323436
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-4-cyanothiophene-2-carboxamide
CID 18181357
4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide
CID 167631207
N-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 33398940
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 55804395

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide (CID 146323492) is 5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide is CCn1cc(NC(=O)c2cc(C#N)c(Cl)s2)cc(Cl)c1=O.
What is the InChIKey of 5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide?
The InChIKey is JXIRMOSTLZKWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2S/c1-2-18-6-8(4-9(14)13(18)20)17-12(19)10-3-7(5-16)11(15)21-10/h3-4,6H,2H2,1H3,(H,17,19).
What are the key properties of 5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide?
5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide has a molecular weight of 342.21 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide is sourced from PubChem (CID 146323492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).