6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C21H18F3N3OS — CID 165142951

IUPAC6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1csc2c1CCN(Cc1cccnc1)C2
InChIInChI=1S/C21H18F3N3OS/c22-21(23,24)15-4-1-5-16(9-15)26-20(28)18-13-29-19-12-27(8-6-17(18)19)11-14-3-2-7-25-10-14/h1-5,7,9-10,13H,6,8,11-12H2,(H,26,28)
InChIKeyQPUWIRXZVMBVIA-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.97
Rot. Bonds4

About 6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 165142951) has the molecular formula C21H18F3N3OS and a molecular weight of 417.46 g/mol. Its IUPAC name is 6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID165142951
Molecular FormulaC21H18F3N3OS
Molecular Weight417.46 g/mol
Exact Mass417.11
IUPAC Name6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1csc2c1CCN(Cc1cccnc1)C2
InChIInChI=1S/C21H18F3N3OS/c22-21(23,24)15-4-1-5-16(9-15)26-20(28)18-13-29-19-12-27(8-6-17(18)19)11-14-3-2-7-25-10-14/h1-5,7,9-10,13H,6,8,11-12H2,(H,26,28)
InChIKeyQPUWIRXZVMBVIA-UHFFFAOYSA-N
XLogP4.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165143290
6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142942
6-[(2-aminopyrimidin-5-yl)methyl]-N-[3-(1,1-difluoroethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142840
6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 171730169
6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165143305
N-[3-fluoro-5-(trifluoromethyl)phenyl]-6-[[2-(methylamino)pyrimidin-5-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142953
1-ethyl-3-(trifluoromethyl)benzene;1-[6-[[5-(1-sulfanylidene-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
CID 165142895
N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 171730170
N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142847
6-(pyridin-3-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157892
3-ethyl-5-(trifluoromethyl)pyridine;1-[6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
CID 165142841
2,3-dimethyloct-2-ene;6-[(E)-2-methylbut-2-enoyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165143489

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 165142951) is 6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1csc2c1CCN(Cc1cccnc1)C2.
What is the InChIKey of 6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is QPUWIRXZVMBVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3OS/c22-21(23,24)15-4-1-5-16(9-15)26-20(28)18-13-29-19-12-27(8-6-17(18)19)11-14-3-2-7-25-10-14/h1-5,7,9-10,13H,6,8,11-12H2,(H,26,28).
What are the key properties of 6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 417.46 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 165142951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).