N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C16H13F3N2O — CID 33167941

IUPACN-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)14-7-5-12(9-20-14)15(22)21-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,21,22)
InChIKeyXTFYSPBEIXSFGK-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.84
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 33167941) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID33167941
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)14-7-5-12(9-20-14)15(22)21-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,21,22)
InChIKeyXTFYSPBEIXSFGK-UHFFFAOYSA-N
XLogP3.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119581155
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38117199
N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131941411
N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
N-(2,3-dihydro-1H-inden-5-yl)-6-(2-methylphenyl)pyridine-3-carboxamide
CID 10042156
methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate
CID 32642819
N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43055984
N-(2,3-dihydro-1H-inden-5-yl)-4-ethoxybenzamide
CID 2673454
N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33174489
N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39207980

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 33167941) is N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)CCC2)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XTFYSPBEIXSFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c17-16(18,19)14-7-5-12(9-20-14)15(22)21-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,21,22).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 33167941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).