3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C28H24F3N3O2 — CID 58396960

IUPAC3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCc1cc(-c2cccnc2Oc2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc2C)ccn1
InChIInChI=1S/C28H24F3N3O2/c1-3-23-15-20(11-13-32-23)24-8-5-12-33-27(24)36-25-16-21(10-9-18(25)2)26(35)34-17-19-6-4-7-22(14-19)28(29,30)31/h4-16H,3,17H2,1-2H3,(H,34,35)
InChIKeySQSQBWZPYXBZAZ-UHFFFAOYSA-N
MW491.51 g/mol
LogP6.76
Rot. Bonds7

About 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 58396960) has the molecular formula C28H24F3N3O2 and a molecular weight of 491.51 g/mol. Its IUPAC name is 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID58396960
Molecular FormulaC28H24F3N3O2
Molecular Weight491.51 g/mol
Exact Mass491.18
IUPAC Name3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCc1cc(-c2cccnc2Oc2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc2C)ccn1
InChIInChI=1S/C28H24F3N3O2/c1-3-23-15-20(11-13-32-23)24-8-5-12-33-27(24)36-25-16-21(10-9-18(25)2)26(35)34-17-19-6-4-7-22(14-19)28(29,30)31/h4-16H,3,17H2,1-2H3,(H,34,35)
InChIKeySQSQBWZPYXBZAZ-UHFFFAOYSA-N
XLogP6.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.51
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide with MolForge

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Related Compounds

4-methyl-3-((3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108977
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
4-fluoro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396290
4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396291
4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396292
2-(Methylamino)triazine 59
CID 23646935
Biarylether amide quinoline, 4b
CID 44472992
Biarylether amide quinoline, 4c
CID 44472993
Biarylether amide quinoline, 4d
CID 44472994
Biarylether amide quinoline, 4f
CID 44472996
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 58396960) is 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is CCc1cc(-c2cccnc2Oc2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc2C)ccn1.
What is the InChIKey of 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is SQSQBWZPYXBZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N3O2/c1-3-23-15-20(11-13-32-23)24-8-5-12-33-27(24)36-25-16-21(10-9-18(25)2)26(35)34-17-19-6-4-7-22(14-19)28(29,30)31/h4-16H,3,17H2,1-2H3,(H,34,35).
What are the key properties of 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 491.51 g/mol, XLogP of 6.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 58396960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).