N-(5-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C20H19F3N2O2 — CID 155464402

IUPACN-(5-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCC1=Cc2cc(C)ccc2C1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C20H19F3N2O2/c1-3-4-12-10-13-9-11(2)5-6-14(13)17(12)25-19(27)15-7-8-16(20(21,22)23)24-18(15)26/h5-10,17H,3-4H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGJIWKCRZHDBNDA-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.37
Rot. Bonds4

About N-(5-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(5-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464402) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-(5-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464402
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC NameN-(5-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCC1=Cc2cc(C)ccc2C1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C20H19F3N2O2/c1-3-4-12-10-13-9-11(2)5-6-14(13)17(12)25-19(27)15-7-8-16(20(21,22)23)24-18(15)26/h5-10,17H,3-4H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGJIWKCRZHDBNDA-UHFFFAOYSA-N
XLogP4.37
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
CID 1478472
N-[2-(dimethylamino)ethyl]-2-oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
CID 1478479
N-methyl-2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
CID 3716222
1-(3,5-Bis(trifluoromethyl)benzyl)-N-(2-(dimethylamino)ethyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 3780154
1-(3,5-Bis(trifluoromethyl)benzyl)-N-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 3829837
N-benzyl-1-butyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 71660060
N-[(3,4-dimethylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 42940979
N-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464238
N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464240
N-[bis(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464242
N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464246
N-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464267

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464402) is N-(5-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCCC1=Cc2cc(C)ccc2C1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(5-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is GJIWKCRZHDBNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-3-4-12-10-13-9-11(2)5-6-14(13)17(12)25-19(27)15-7-8-16(20(21,22)23)24-18(15)26/h5-10,17H,3-4H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-(5-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(5-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propyl-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).