N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide

C19H15F3N2OS — CID 70004142

IUPACN-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1cc2sccc2nc1C(F)(F)F
InChIInChI=1S/C19H15F3N2OS/c20-19(21,22)17-13(10-16-15(23-17)8-9-26-16)18(25)24-14-7-3-5-11-4-1-2-6-12(11)14/h1-2,4,6,8-10,14H,3,5,7H2,(H,24,25)/t14-/m1/s1
InChIKeyLJMLJPRNIOYOPH-CQSZACIVSA-N
MW376.40 g/mol
LogP5.12
Rot. Bonds2

About N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide

N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 70004142) has the molecular formula C19H15F3N2OS and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide
PubChem CID70004142
Molecular FormulaC19H15F3N2OS
Molecular Weight376.40 g/mol
Exact Mass376.09
IUPAC NameN-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1cc2sccc2nc1C(F)(F)F
InChIInChI=1S/C19H15F3N2OS/c20-19(21,22)17-13(10-16-15(23-17)8-9-26-16)18(25)24-14-7-3-5-11-4-1-2-6-12(11)14/h1-2,4,6,8-10,14H,3,5,7H2,(H,24,25)/t14-/m1/s1
InChIKeyLJMLJPRNIOYOPH-CQSZACIVSA-N
XLogP5.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.40
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020840
N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide
CID 172674045
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099
2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 5045175
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
2-bromo-4-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9192392
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42989247
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide (CID 70004142) is N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide is O=C(N[C@@H]1CCCc2ccccc21)c1cc2sccc2nc1C(F)(F)F.
What is the InChIKey of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is LJMLJPRNIOYOPH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H15F3N2OS/c20-19(21,22)17-13(10-16-15(23-17)8-9-26-16)18(25)24-14-7-3-5-11-4-1-2-6-12(11)14/h1-2,4,6,8-10,14H,3,5,7H2,(H,24,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide?
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 70004142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).