4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide

C13H8Cl2FN3O2S — CID 146309489

IUPAC4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide
SMILESN#Cc1sc(C(=O)Nc2cc(Cl)c(=O)n(CCF)c2)cc1Cl
InChIInChI=1S/C13H8Cl2FN3O2S/c14-8-4-10(22-11(8)5-17)12(20)18-7-3-9(15)13(21)19(6-7)2-1-16/h3-4,6H,1-2H2,(H,18,20)
InChIKeyJZGHMMZINHIIOM-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.31
Rot. Bonds4

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

4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide (PubChem CID 146309489) has the molecular formula C13H8Cl2FN3O2S and a molecular weight of 360.20 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide
PubChem CID146309489
Molecular FormulaC13H8Cl2FN3O2S
Molecular Weight360.20 g/mol
Exact Mass358.97
IUPAC Name4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide
SMILESN#Cc1sc(C(=O)Nc2cc(Cl)c(=O)n(CCF)c2)cc1Cl
InChIInChI=1S/C13H8Cl2FN3O2S/c14-8-4-10(22-11(8)5-17)12(20)18-7-3-9(15)13(21)19(6-7)2-1-16/h3-4,6H,1-2H2,(H,18,20)
InChIKeyJZGHMMZINHIIOM-UHFFFAOYSA-N
XLogP3.31
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309466
3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323152
4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323161
4,5-dichloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide
CID 146323174
3-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323175
4-chloro-N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323177
N-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridin-3-yl]-4-cyano-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323181
5-(3-aminobut-1-ynyl)-4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]thiophene-2-carboxamide
CID 146323288
4-chloro-N-[5-fluoro-1-(1-fluoropropan-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323302
5-chloro-N-[5-chloro-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide
CID 146323303
5-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-4-fluorothiophene-2-carboxamide
CID 146323304
5-chloro-N-[1-(2,2-difluoroethyl)-5-ethynyl-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide
CID 146323305

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide?
The IUPAC name of 4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide (CID 146309489) is 4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide?
The canonical SMILES for 4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide is N#Cc1sc(C(=O)Nc2cc(Cl)c(=O)n(CCF)c2)cc1Cl.
What is the InChIKey of 4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide?
The InChIKey is JZGHMMZINHIIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FN3O2S/c14-8-4-10(22-11(8)5-17)12(20)18-7-3-9(15)13(21)19(6-7)2-1-16/h3-4,6H,1-2H2,(H,18,20).
What are the key properties of 4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide?
4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide has a molecular weight of 360.20 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide is sourced from PubChem (CID 146309489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).