N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide

C13H9F3N2OS — CID 2302878

IUPACN-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(SC(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C13H9F3N2OS/c14-13(15,16)20-10-6-4-9(5-7-10)18-12(19)11-3-1-2-8-17-11/h1-8H,(H,18,19)
InChIKeySNKDHYGIZNNNCR-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.95
Rot. Bonds3

About N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide

N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide (PubChem CID 2302878) has the molecular formula C13H9F3N2OS and a molecular weight of 298.29 g/mol. Its IUPAC name is N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
PubChem CID2302878
Molecular FormulaC13H9F3N2OS
Molecular Weight298.29 g/mol
Exact Mass298.04
IUPAC NameN-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(SC(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C13H9F3N2OS/c14-13(15,16)20-10-6-4-9(5-7-10)18-12(19)11-3-1-2-8-17-11/h1-8H,(H,18,19)
InChIKeySNKDHYGIZNNNCR-UHFFFAOYSA-N
XLogP3.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-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

N-(3-(trifluoromethyl)phenyl)pyridine-2-carboxamide
CID 2306530
Pyridine-2-carboxylic acid (2-amino-phenyl)-amide
CID 817096
N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
CID 2442932
N-cyclohexylpyridine-2-carboxamide
CID 10608271
N-(4-fluoro-3-(trifluoromethyl)phenyl)picolinamide
CID 44191180
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide
CID 25161578
N-{4-[(methylamino)sulfonyl]phenyl}-2-pyridinecarboxamide
CID 701247
(4-Cyclobutyl-1,4-diazepan-1-yl)(5-(phenylthio)pyridin-2-yl)methanone
CID 24771015
N-(4-(N-phenylsulfamoyl)phenyl)picolinamide
CID 45111049
N-(4-(N-(2-fluorophenyl)sulfamoyl)phenyl)picolinamide
CID 45111509
(4-Cyclobutyl-1,4-diazepan-1-yl)(5-(4-fluorophenylthio)pyridin-2-yl)methanone
CID 46945818
N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 2490286

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide (CID 2302878) is N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(SC(F)(F)F)cc1)c1ccccn1.
What is the InChIKey of N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide?
The InChIKey is SNKDHYGIZNNNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2OS/c14-13(15,16)20-10-6-4-9(5-7-10)18-12(19)11-3-1-2-8-17-11/h1-8H,(H,18,19).
What are the key properties of N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide?
N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide has a molecular weight of 298.29 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 2302878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).