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

C16H13F3N2O2 — CID 155464359

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)13-8-6-11(15(23)21-13)14(22)20-12-7-5-9-3-1-2-4-10(9)12/h1-4,6,8,12H,5,7H2,(H,20,22)(H,21,23)
InChIKeyIMWPIUBZAWGJMY-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.81
Rot. Bonds2

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

N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464359) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464359
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)13-8-6-11(15(23)21-13)14(22)20-12-7-5-9-3-1-2-4-10(9)12/h1-4,6,8,12H,5,7H2,(H,20,22)(H,21,23)
InChIKeyIMWPIUBZAWGJMY-UHFFFAOYSA-N
XLogP2.81
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 95769416
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976368
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976369
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 30133677
N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464353
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 99642803
N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 47017222
N-cyclohexyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60708032
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
N-(9H-fluoren-9-ylmethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464804
N-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464489
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464359) is N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC1CCc2ccccc21)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is IMWPIUBZAWGJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c17-16(18,19)13-8-6-11(15(23)21-13)14(22)20-12-7-5-9-3-1-2-4-10(9)12/h1-4,6,8,12H,5,7H2,(H,20,22)(H,21,23).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 322.29 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).