4-methyl-1-(pyridin-2-ylmethyl)-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyridin-2-one

C21H16F3N3O — CID 161346930

IUPAC4-methyl-1-(pyridin-2-ylmethyl)-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyridin-2-one
SMILESCc1cc(=O)n(Cc2ccccn2)cc1-c1cc(C(F)(F)F)cc2c1C=NC2
InChIInChI=1S/C21H16F3N3O/c1-13-6-20(28)27(11-16-4-2-3-5-26-16)12-19(13)17-8-15(21(22,23)24)7-14-9-25-10-18(14)17/h2-8,10,12H,9,11H2,1H3
InChIKeyVNKUQEPWVZIDPN-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.22
Rot. Bonds3

About 4-methyl-1-(pyridin-2-ylmethyl)-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyridin-2-one

4-methyl-1-(pyridin-2-ylmethyl)-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyridin-2-one (PubChem CID 161346930) has the molecular formula C21H16F3N3O and a molecular weight of 383.37 g/mol. Its IUPAC name is 4-methyl-1-(pyridin-2-ylmethyl)-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-(pyridin-2-ylmethyl)-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyridin-2-one
PubChem CID161346930
Molecular FormulaC21H16F3N3O
Molecular Weight383.37 g/mol
Exact Mass383.12
IUPAC Name4-methyl-1-(pyridin-2-ylmethyl)-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyridin-2-one
SMILESCc1cc(=O)n(Cc2ccccn2)cc1-c1cc(C(F)(F)F)cc2c1C=NC2
InChIInChI=1S/C21H16F3N3O/c1-13-6-20(28)27(11-16-4-2-3-5-26-16)12-19(13)17-8-15(21(22,23)24)7-14-9-25-10-18(14)17/h2-8,10,12H,9,11H2,1H3
InChIKeyVNKUQEPWVZIDPN-UHFFFAOYSA-N
XLogP4.22
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole
CID 161055825
2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid
CID 158586532
2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide
CID 162099179
2,8-bis(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 171693389
6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716058
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone
CID 102752303
5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(pyridin-2-ylmethyl)pyridin-2-one
CID 171111404
2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine
CID 144740114
N-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 70972246
3-methyl-1-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
CID 134490036
3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 56725503
N,N-dimethyl-1-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 97370311

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(pyridin-2-ylmethyl)-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyridin-2-one?
The IUPAC name of 4-methyl-1-(pyridin-2-ylmethyl)-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyridin-2-one (CID 161346930) is 4-methyl-1-(pyridin-2-ylmethyl)-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-(pyridin-2-ylmethyl)-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-(pyridin-2-ylmethyl)-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyridin-2-one is Cc1cc(=O)n(Cc2ccccn2)cc1-c1cc(C(F)(F)F)cc2c1C=NC2.
What is the InChIKey of 4-methyl-1-(pyridin-2-ylmethyl)-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyridin-2-one?
The InChIKey is VNKUQEPWVZIDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O/c1-13-6-20(28)27(11-16-4-2-3-5-26-16)12-19(13)17-8-15(21(22,23)24)7-14-9-25-10-18(14)17/h2-8,10,12H,9,11H2,1H3.
What are the key properties of 4-methyl-1-(pyridin-2-ylmethyl)-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyridin-2-one?
4-methyl-1-(pyridin-2-ylmethyl)-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyridin-2-one has a molecular weight of 383.37 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(pyridin-2-ylmethyl)-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyridin-2-one is sourced from PubChem (CID 161346930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).