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

C18H17F3N2O2 — CID 155464911

IUPACN-(2,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)CC(C)C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C18H17F3N2O2/c1-9-3-4-12-11(7-9)8-10(2)15(12)23-17(25)13-5-6-14(18(19,20)21)22-16(13)24/h3-7,10,15H,8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQSQLRMKLTPUADC-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.37
Rot. Bonds2

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

N-(2,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464911) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-(2,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464911
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-(2,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)CC(C)C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C18H17F3N2O2/c1-9-3-4-12-11(7-9)8-10(2)15(12)23-17(25)13-5-6-14(18(19,20)21)22-16(13)24/h3-7,10,15H,8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQSQLRMKLTPUADC-UHFFFAOYSA-N
XLogP3.37
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464911) is N-(2,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1ccc2c(c1)CC(C)C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(2,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is QSQLRMKLTPUADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-9-3-4-12-11(7-9)8-10(2)15(12)23-17(25)13-5-6-14(18(19,20)21)22-16(13)24/h3-7,10,15H,8H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).