N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C16H14F3N3O — CID 119581155

IUPACN-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CNCC2)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)14-4-2-11(9-21-14)15(23)22-13-3-1-10-5-6-20-8-12(10)7-13/h1-4,7,9,20H,5-6,8H2,(H,22,23)
InChIKeyKBVCOADOTQDFHQ-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.00
Rot. Bonds2

About N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 119581155) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID119581155
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CNCC2)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)14-4-2-11(9-21-14)15(23)22-13-3-1-10-5-6-20-8-12(10)7-13/h1-4,7,9,20H,5-6,8H2,(H,22,23)
InChIKeyKBVCOADOTQDFHQ-UHFFFAOYSA-N
XLogP3.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33167941
3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901337
N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
4-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 44536182
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33174489
N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131941411
N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43055984
N-(4-piperidin-4-yloxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 172895263
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38117199

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 119581155) is N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)CNCC2)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KBVCOADOTQDFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c17-16(18,19)14-4-2-11(9-21-14)15(23)22-13-3-1-10-5-6-20-8-12(10)7-13/h1-4,7,9,20H,5-6,8H2,(H,22,23).
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 321.30 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 119581155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).