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

C14H7F6N3O2S — CID 166024220

IUPACN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-isocyano-5-(trifluoromethyl)thiophene-2-carboxamide
SMILES[C-]#[N+]c1cc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)sc1C(F)(F)F
InChIInChI=1S/C14H7F6N3O2S/c1-21-8-3-9(26-11(8)14(18,19)20)12(24)22-6-2-7(15)13(25)23(4-6)5-10(16)17/h2-4,10H,5H2,(H,22,24)
InChIKeyCMEFFOWKIKYWPF-UHFFFAOYSA-N
MW395.28 g/mol
LogP4.14
Rot. Bonds4

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

N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-isocyano-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 166024220) has the molecular formula C14H7F6N3O2S and a molecular weight of 395.28 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-isocyano-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-isocyano-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID166024220
Molecular FormulaC14H7F6N3O2S
Molecular Weight395.28 g/mol
Exact Mass395.02
IUPAC NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-isocyano-5-(trifluoromethyl)thiophene-2-carboxamide
SMILES[C-]#[N+]c1cc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)sc1C(F)(F)F
InChIInChI=1S/C14H7F6N3O2S/c1-21-8-3-9(26-11(8)14(18,19)20)12(24)22-6-2-7(15)13(25)23(4-6)5-10(16)17/h2-4,10H,5H2,(H,22,24)
InChIKeyCMEFFOWKIKYWPF-UHFFFAOYSA-N
XLogP4.14
TPSA55.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309476
N-(2-aminophenyl)-5-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]thiophene-2-carboxamide
CID 11741274
4-amino-N-(2-fluoroethyl)thiophene-2-carboxamide
CID 130922992
4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309466
5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide
CID 146323119
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide
CID 146323120
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methyl-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323179
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4,5-difluorothiophene-2-carboxamide
CID 146323259
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide
CID 146323270
5-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-(trifluoromethyl)thiophene-2-carboxamide
CID 146323297
2-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2,4-dicarboxamide
CID 146323433
4,5-difluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide
CID 167536454

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-isocyano-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-isocyano-5-(trifluoromethyl)thiophene-2-carboxamide (CID 166024220) is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-isocyano-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-isocyano-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-isocyano-5-(trifluoromethyl)thiophene-2-carboxamide is [C-]#[N+]c1cc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)sc1C(F)(F)F.
What is the InChIKey of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-isocyano-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is CMEFFOWKIKYWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6N3O2S/c1-21-8-3-9(26-11(8)14(18,19)20)12(24)22-6-2-7(15)13(25)23(4-6)5-10(16)17/h2-4,10H,5H2,(H,22,24).
What are the key properties of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-isocyano-5-(trifluoromethyl)thiophene-2-carboxamide?
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-isocyano-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 395.28 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-isocyano-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 166024220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).