2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-carboxamide

C16H15F3N2O2S — CID 16623245

IUPAC2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C16H15F3N2O2S/c1-2-23-15-11(6-5-9-20-15)14(22)21-12-7-3-4-8-13(12)24-10-16(17,18)19/h3-9H,2,10H2,1H3,(H,21,22)
InChIKeyPVDSIPWBTGDWSR-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.39
Rot. Bonds6

About 2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-carboxamide

2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-carboxamide (PubChem CID 16623245) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-carboxamide
PubChem CID16623245
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC Name2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C16H15F3N2O2S/c1-2-23-15-11(6-5-9-20-15)14(22)21-12-7-3-4-8-13(12)24-10-16(17,18)19/h3-9H,2,10H2,1H3,(H,21,22)
InChIKeyPVDSIPWBTGDWSR-UHFFFAOYSA-N
XLogP4.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-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

(R)-2-(4-fluorophenoxy)-N-(1-(thiophen-2-yl)ethyl)nicotinamide
CID 18734933
2-ethoxy-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 1478065
2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 2080643
2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 2083057
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181
2-ethoxy-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide
CID 2517314
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-ethoxypyridine-3-carbohydrazide
CID 4785569
2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4794993
6-Butoxy-N-(2,4-difluorophenyl)nicotinamide
CID 58368196
N-(4-fluorophenyl)-2-phenoxypyridine-3-carboxamide
CID 2797676
(R)-2-(4-Fluoro-2-methylphenoxy)-N-(3-(S-methylsulfonimidoyl)phenyl)-5-(trifluoromethyl)nicotinamide
CID 169124157
Ethyl 2-({5-[(4-methoxyanilino)carbonyl]-2-pyridinyl}sulfanyl)acetate
CID 1486211

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-carboxamide (CID 16623245) is 2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccccc1SCC(F)(F)F.
What is the InChIKey of 2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-carboxamide?
The InChIKey is PVDSIPWBTGDWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c1-2-23-15-11(6-5-9-20-15)14(22)21-12-7-3-4-8-13(12)24-10-16(17,18)19/h3-9H,2,10H2,1H3,(H,21,22).
What are the key properties of 2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-carboxamide?
2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 16623245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).