N-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide

C14H12F3N3OS — CID 165143298

IUPACN-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
SMILESO=C(Nc1cncc(C(F)(F)F)c1)c1csc2c1CCNC2
InChIInChI=1S/C14H12F3N3OS/c15-14(16,17)8-3-9(5-19-4-8)20-13(21)11-7-22-12-6-18-2-1-10(11)12/h3-5,7,18H,1-2,6H2,(H,20,21)
InChIKeyIULMLUSOSZJXAQ-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.06
Rot. Bonds2

About N-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide

N-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide (PubChem CID 165143298) has the molecular formula C14H12F3N3OS and a molecular weight of 327.33 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
PubChem CID165143298
Molecular FormulaC14H12F3N3OS
Molecular Weight327.33 g/mol
Exact Mass327.07
IUPAC NameN-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
SMILESO=C(Nc1cncc(C(F)(F)F)c1)c1csc2c1CCNC2
InChIInChI=1S/C14H12F3N3OS/c15-14(16,17)8-3-9(5-19-4-8)20-13(21)11-7-22-12-6-18-2-1-10(11)12/h3-5,7,18H,1-2,6H2,(H,20,21)
InChIKeyIULMLUSOSZJXAQ-UHFFFAOYSA-N
XLogP3.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-cyano-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 165143004
N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 171059121
N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 165143402
6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 171730169
N-[5-(1,1-difluoroethyl)-3-pyridinyl]-6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 170560748
4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174184894
(6S)-6-methyl-N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 888666
6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142951
N-cycloheptyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 6473714
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
N-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 165143044

Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide (CID 165143298) is N-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide is O=C(Nc1cncc(C(F)(F)F)c1)c1csc2c1CCNC2.
What is the InChIKey of N-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is IULMLUSOSZJXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3OS/c15-14(16,17)8-3-9(5-19-4-8)20-13(21)11-7-22-12-6-18-2-1-10(11)12/h3-5,7,18H,1-2,6H2,(H,20,21).
What are the key properties of N-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
N-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 165143298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).