N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide

C21H14F3N3O2S — CID 167584774

IUPACN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc2cc(-c3ccncc3)ccc2s1
InChIInChI=1S/C21H14F3N3O2S/c22-16-9-15(10-27(21(16)29)11-19(23)24)26-20(28)18-8-14-7-13(1-2-17(14)30-18)12-3-5-25-6-4-12/h1-10,19H,11H2,(H,26,28)
InChIKeyHQNWTYUPAMPMTC-UHFFFAOYSA-N
MW429.42 g/mol
LogP4.78
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide

N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide (PubChem CID 167584774) has the molecular formula C21H14F3N3O2S and a molecular weight of 429.42 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide
PubChem CID167584774
Molecular FormulaC21H14F3N3O2S
Molecular Weight429.42 g/mol
Exact Mass429.08
IUPAC NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc2cc(-c3ccncc3)ccc2s1
InChIInChI=1S/C21H14F3N3O2S/c22-16-9-15(10-27(21(16)29)11-19(23)24)26-20(28)18-8-14-7-13(1-2-17(14)30-18)12-3-5-25-6-4-12/h1-10,19H,11H2,(H,26,28)
InChIKeyHQNWTYUPAMPMTC-UHFFFAOYSA-N
XLogP4.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methylsulfanylthiophene-2-carboxamide
CID 146323308
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(2-pyridin-4-ylethynyl)-1,3,4-oxadiazole-2-carboxamide
CID 146323512
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-7,7-difluoro-5,6-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 146323416
2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 146323287
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
CID 146323285
5-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(3-hydroxycyclobutyl)ethynyl]thiophene-2-carboxamide
CID 146323401
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-[2-(1,3-oxazol-2-yl)-4-pyridinyl]ethynyl]thiophene-2-carboxamide
CID 146323146
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-[(4-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 70919647
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(1-methyl-2-oxopiperidin-4-yl)ethynyl]thiophene-2-carboxamide
CID 146323189
5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide
CID 167637338
2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 146323132

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide (CID 167584774) is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide is O=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc2cc(-c3ccncc3)ccc2s1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide?
The InChIKey is HQNWTYUPAMPMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2S/c22-16-9-15(10-27(21(16)29)11-19(23)24)26-20(28)18-8-14-7-13(1-2-17(14)30-18)12-3-5-25-6-4-12/h1-10,19H,11H2,(H,26,28).
What are the key properties of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide?
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide has a molecular weight of 429.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 167584774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).