2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C21H24F3N3O2S — CID 67287002

IUPAC2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H24F3N3O2S/c1-3-30-20-18(14(2)11-17(26-20)27-7-9-29-10-8-27)19(28)25-13-15-5-4-6-16(12-15)21(22,23)24/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,25,28)
InChIKeyGXGNXHVHIATLDL-UHFFFAOYSA-N
MW439.50 g/mol
LogP4.29
Rot. Bonds6

About 2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 67287002) has the molecular formula C21H24F3N3O2S and a molecular weight of 439.50 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID67287002
Molecular FormulaC21H24F3N3O2S
Molecular Weight439.50 g/mol
Exact Mass439.15
IUPAC Name2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H24F3N3O2S/c1-3-30-20-18(14(2)11-17(26-20)27-7-9-29-10-8-27)19(28)25-13-15-5-4-6-16(12-15)21(22,23)24/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,25,28)
InChIKeyGXGNXHVHIATLDL-UHFFFAOYSA-N
XLogP4.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-ethylsulfanyl-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67286799
2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 56963517
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide
CID 67287567
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-(3-oxomorpholin-4-yl)pyridine-3-carboxamide
CID 67287229
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(4-methoxypiperidin-1-yl)-4-methylpyridine-3-carboxamide
CID 67287264
2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67286966
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-[(3S)-3-(hydroxymethyl)morpholin-4-yl]-4-methylpyridine-3-carboxamide
CID 56962525
2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287463
2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 56963160
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide
CID 56963428
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122295248
7-ethylsulfanyl-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469467

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 67287002) is 2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is GXGNXHVHIATLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2S/c1-3-30-20-18(14(2)11-17(26-20)27-7-9-29-10-8-27)19(28)25-13-15-5-4-6-16(12-15)21(22,23)24/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,25,28).
What are the key properties of 2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 67287002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).