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

C20H21F3N2O2 — CID 155464687

IUPACN-(5-methyl-2-propyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCC1Cc2cc(C)ccc2C1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C20H21F3N2O2/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/h5-9,12,17H,3-4,10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyADMGUKNETVOQQG-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.15
Rot. Bonds4

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

N-(5-methyl-2-propyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464687) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(5-methyl-2-propyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-propyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464687
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-(5-methyl-2-propyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCC1Cc2cc(C)ccc2C1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C20H21F3N2O2/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/h5-9,12,17H,3-4,10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyADMGUKNETVOQQG-UHFFFAOYSA-N
XLogP4.15
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5-methyl-2-propyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464687) is N-(5-methyl-2-propyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-2-propyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5-methyl-2-propyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCCC1Cc2cc(C)ccc2C1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(5-methyl-2-propyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is ADMGUKNETVOQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/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/h5-9,12,17H,3-4,10H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-(5-methyl-2-propyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(5-methyl-2-propyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 4.15, 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-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).