3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzamide

C27H21F4N3O2 — CID 58396582

IUPAC3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCCc1cc(-c2cccnc2Oc2cc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)ccc2C)ccn1
InChIInChI=1S/C27H21F4N3O2/c1-3-19-13-17(10-12-32-19)21-5-4-11-33-26(21)36-24-14-18(7-6-16(24)2)25(35)34-20-8-9-23(28)22(15-20)27(29,30)31/h4-15H,3H2,1-2H3,(H,34,35)
InChIKeyARUGUHFGEPXPEJ-UHFFFAOYSA-N
MW495.48 g/mol
LogP7.22
Rot. Bonds6

About 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzamide

3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzamide (PubChem CID 58396582) has the molecular formula C27H21F4N3O2 and a molecular weight of 495.48 g/mol. Its IUPAC name is 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzamide
PubChem CID58396582
Molecular FormulaC27H21F4N3O2
Molecular Weight495.48 g/mol
Exact Mass495.16
IUPAC Name3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCCc1cc(-c2cccnc2Oc2cc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)ccc2C)ccn1
InChIInChI=1S/C27H21F4N3O2/c1-3-19-13-17(10-12-32-19)21-5-4-11-33-26(21)36-24-14-18(7-6-16(24)2)25(35)34-20-8-9-23(28)22(15-20)27(29,30)31/h4-15H,3H2,1-2H3,(H,34,35)
InChIKeyARUGUHFGEPXPEJ-UHFFFAOYSA-N
XLogP7.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.48
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzamide 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
N-(2-methoxy-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108988
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
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
CID 121363591
N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CID 122707126

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzamide (CID 58396582) is 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzamide is CCc1cc(-c2cccnc2Oc2cc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)ccc2C)ccn1.
What is the InChIKey of 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzamide?
The InChIKey is ARUGUHFGEPXPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F4N3O2/c1-3-19-13-17(10-12-32-19)21-5-4-11-33-26(21)36-24-14-18(7-6-16(24)2)25(35)34-20-8-9-23(28)22(15-20)27(29,30)31/h4-15H,3H2,1-2H3,(H,34,35).
What are the key properties of 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzamide?
3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzamide has a molecular weight of 495.48 g/mol, XLogP of 7.22, 6 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]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 58396582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).