3-(1,3-dihydroisoindol-2-ylmethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one

C17H17F3N2O — CID 150330753

IUPAC3-(1,3-dihydroisoindol-2-ylmethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(CN2Cc3ccccc3C2)c(=O)n1C
InChIInChI=1S/C17H17F3N2O/c1-11-7-15(17(18,19)20)14(16(23)21(11)2)10-22-8-12-5-3-4-6-13(12)9-22/h3-7H,8-10H2,1-2H3
InChIKeyGPPSELBCRCYBTG-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.23
Rot. Bonds2

About 3-(1,3-dihydroisoindol-2-ylmethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one

3-(1,3-dihydroisoindol-2-ylmethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 150330753) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-ylmethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-ylmethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID150330753
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name3-(1,3-dihydroisoindol-2-ylmethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(CN2Cc3ccccc3C2)c(=O)n1C
InChIInChI=1S/C17H17F3N2O/c1-11-7-15(17(18,19)20)14(16(23)21(11)2)10-22-8-12-5-3-4-6-13(12)9-22/h3-7H,8-10H2,1-2H3
InChIKeyGPPSELBCRCYBTG-UHFFFAOYSA-N
XLogP3.23
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dimethyl-1-(2-methylbenzyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 5000326
US10550105, Example 160
CID 154825838
US10550105, Example 169
CID 154825847
US10550105, Example 180
CID 154825858
US10550105, Example 264
CID 154825941
US10550105, Example 276
CID 154825953
US10550105, Example 310
CID 154825985
US10550105, Example 330
CID 154826005
N-methyl-3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 45802374
N-[2,3-dihydro-1H-isoindol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464784
US10550105, Example 159
CID 154825837
N-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide
CID 138975919

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-ylmethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-(1,3-dihydroisoindol-2-ylmethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one (CID 150330753) is 3-(1,3-dihydroisoindol-2-ylmethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-ylmethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-ylmethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)c(CN2Cc3ccccc3C2)c(=O)n1C.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-ylmethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is GPPSELBCRCYBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-11-7-15(17(18,19)20)14(16(23)21(11)2)10-22-8-12-5-3-4-6-13(12)9-22/h3-7H,8-10H2,1-2H3.
What are the key properties of 3-(1,3-dihydroisoindol-2-ylmethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
3-(1,3-dihydroisoindol-2-ylmethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 322.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-ylmethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 150330753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).