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

C16H12F3N3OS — CID 165143004

IUPACN-[3-cyano-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
SMILESN#Cc1cc(NC(=O)c2csc3c2CCNC3)cc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)10-3-9(6-20)4-11(5-10)22-15(23)13-8-24-14-7-21-2-1-12(13)14/h3-5,8,21H,1-2,7H2,(H,22,23)
InChIKeyQUHSGTNAJQXYAK-UHFFFAOYSA-N
MW351.35 g/mol
LogP3.54
Rot. Bonds2

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

N-[3-cyano-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide (PubChem CID 165143004) has the molecular formula C16H12F3N3OS and a molecular weight of 351.35 g/mol. Its IUPAC name is N-[3-cyano-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
PubChem CID165143004
Molecular FormulaC16H12F3N3OS
Molecular Weight351.35 g/mol
Exact Mass351.07
IUPAC NameN-[3-cyano-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
SMILESN#Cc1cc(NC(=O)c2csc3c2CCNC3)cc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)10-3-9(6-20)4-11(5-10)22-15(23)13-8-24-14-7-21-2-1-12(13)14/h3-5,8,21H,1-2,7H2,(H,22,23)
InChIKeyQUHSGTNAJQXYAK-UHFFFAOYSA-N
XLogP3.54
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 165143298
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
(6S)-6-methyl-N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 888666
N-cycloheptyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 6473714
N-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 165143044
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4554734
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
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239
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-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10574522
4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 833847

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyano-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide (CID 165143004) is N-[3-cyano-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyano-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyano-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide is N#Cc1cc(NC(=O)c2csc3c2CCNC3)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-cyano-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is QUHSGTNAJQXYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3OS/c17-16(18,19)10-3-9(6-20)4-11(5-10)22-15(23)13-8-24-14-7-21-2-1-12(13)14/h3-5,8,21H,1-2,7H2,(H,22,23).
What are the key properties of N-[3-cyano-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
N-[3-cyano-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 351.35 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-5-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 165143004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).