4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide

C16H12F3N3O2S — CID 146323184

IUPAC4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide
SMILESN#Cc1cc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)sc1C1CC1
InChIInChI=1S/C16H12F3N3O2S/c17-11-4-10(6-22(16(11)24)7-13(18)19)21-15(23)12-3-9(5-20)14(25-12)8-1-2-8/h3-4,6,8,13H,1-2,7H2,(H,21,23)
InChIKeyCPBAMMLPNIEIRY-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.32
Rot. Bonds5

About 4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide

4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 146323184) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is 4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide
PubChem CID146323184
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC Name4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide
SMILESN#Cc1cc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)sc1C1CC1
InChIInChI=1S/C16H12F3N3O2S/c17-11-4-10(6-22(16(11)24)7-13(18)19)21-15(23)12-3-9(5-20)14(25-12)8-1-2-8/h3-4,6,8,13H,1-2,7H2,(H,21,23)
InChIKeyCPBAMMLPNIEIRY-UHFFFAOYSA-N
XLogP3.32
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide with MolForge

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Related Compounds

5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide
CID 118433013
5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide
CID 118433236
4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309476
N-(2-cyanoethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082835
N-(2-cyanoethyl)-5-(3,4-difluorophenyl)thiophene-2-carboxamide
CID 132462773
5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide
CID 118432726
5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride
CID 118432737
5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide
CID 118432738
5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride
CID 118432739
5-[(1R,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide
CID 118432740
5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide
CID 118432777
N-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide
CID 118432792

Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of 4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide (CID 146323184) is 4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for 4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide is N#Cc1cc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)sc1C1CC1.
What is the InChIKey of 4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is CPBAMMLPNIEIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-11-4-10(6-22(16(11)24)7-13(18)19)21-15(23)12-3-9(5-20)14(25-12)8-1-2-8/h3-4,6,8,13H,1-2,7H2,(H,21,23).
What are the key properties of 4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide?
4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 367.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 146323184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).