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

C15H12F5N3O2S — CID 146323416

IUPACN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-7,7-difluoro-5,6-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc2c(s1)C(F)(F)CNC2
InChIInChI=1S/C15H12F5N3O2S/c16-9-2-8(4-23(14(9)25)5-11(17)18)22-13(24)10-1-7-3-21-6-15(19,20)12(7)26-10/h1-2,4,11,21H,3,5-6H2,(H,22,24)
InChIKeyRLRZIEKJZHUQTH-UHFFFAOYSA-N
MW393.34 g/mol
LogP2.76
Rot. Bonds4

About 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

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 (PubChem CID 146323416) has the molecular formula C15H12F5N3O2S and a molecular weight of 393.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-7,7-difluoro-5,6-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID146323416
Molecular FormulaC15H12F5N3O2S
Molecular Weight393.34 g/mol
Exact Mass393.06
IUPAC NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-7,7-difluoro-5,6-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc2c(s1)C(F)(F)CNC2
InChIInChI=1S/C15H12F5N3O2S/c16-9-2-8(4-23(14(9)25)5-11(17)18)22-13(24)10-1-7-3-21-6-15(19,20)12(7)26-10/h1-2,4,11,21H,3,5-6H2,(H,22,24)
InChIKeyRLRZIEKJZHUQTH-UHFFFAOYSA-N
XLogP2.76
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 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
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-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide
CID 146323436
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-(2-piperidin-3-ylethynyl)thiophene-2-carboxamide
CID 146323431
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide
CID 167584774
5-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(3-hydroxycyclobutyl)ethynyl]thiophene-2-carboxamide
CID 146323401
3-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323175
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
CID 146323285
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]-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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc2c(s1)C(F)(F)CNC2.
What is the InChIKey of 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?
The InChIKey is RLRZIEKJZHUQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N3O2S/c16-9-2-8(4-23(14(9)25)5-11(17)18)22-13(24)10-1-7-3-21-6-15(19,20)12(7)26-10/h1-2,4,11,21H,3,5-6H2,(H,22,24).
What are the key properties of 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?
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 has a molecular weight of 393.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 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]-7,7-difluoro-5,6-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 146323416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).