4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide

C17H17F3N2O2S — CID 148921014

IUPAC4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
SMILESCCCNC(=O)c1cc(SC)cc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H17F3N2O2S/c1-3-7-21-16(23)14-9-13(25-2)10-15(22-14)24-12-6-4-5-11(8-12)17(18,19)20/h4-6,8-10H,3,7H2,1-2H3,(H,21,23)
InChIKeyWMAPNBUOCCDFBG-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.75
Rot. Bonds6

About 4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide

4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide (PubChem CID 148921014) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is 4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
PubChem CID148921014
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
SMILESCCCNC(=O)c1cc(SC)cc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H17F3N2O2S/c1-3-7-21-16(23)14-9-13(25-2)10-15(22-14)24-12-6-4-5-11(8-12)17(18,19)20/h4-6,8-10H,3,7H2,1-2H3,(H,21,23)
InChIKeyWMAPNBUOCCDFBG-UHFFFAOYSA-N
XLogP4.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 18326225
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454
6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid
CID 15790812
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874519
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide
CID 52655302
4,6-bis[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one
CID 4035854
2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide
CID 54216258
N-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide
CID 56757658
N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109323797

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide?
The IUPAC name of 4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide (CID 148921014) is 4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide is CCCNC(=O)c1cc(SC)cc(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide?
The InChIKey is WMAPNBUOCCDFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c1-3-7-21-16(23)14-9-13(25-2)10-15(22-14)24-12-6-4-5-11(8-12)17(18,19)20/h4-6,8-10H,3,7H2,1-2H3,(H,21,23).
What are the key properties of 4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide?
4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 148921014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).