2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide

C25H20F4N4O4 — CID 78427023

IUPAC2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(-c3nnc(C)o3)cc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C25H20F4N4O4/c1-3-36-21-11-22(34)30-12-19(21)14-4-5-15(20(26)8-14)9-23(35)31-18-7-16(24-33-32-13(2)37-24)6-17(10-18)25(27,28)29/h4-8,10-12H,3,9H2,1-2H3,(H,30,34)(H,31,35)
InChIKeyQGWFBTCMBJQAGH-UHFFFAOYSA-N
MW516.45 g/mol
LogP5.14
Rot. Bonds7

About 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide

2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 78427023) has the molecular formula C25H20F4N4O4 and a molecular weight of 516.45 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID78427023
Molecular FormulaC25H20F4N4O4
Molecular Weight516.45 g/mol
Exact Mass516.14
IUPAC Name2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(-c3nnc(C)o3)cc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C25H20F4N4O4/c1-3-36-21-11-22(34)30-12-19(21)14-4-5-15(20(26)8-14)9-23(35)31-18-7-16(24-33-32-13(2)37-24)6-17(10-18)25(27,28)29/h4-8,10-12H,3,9H2,1-2H3,(H,30,34)(H,31,35)
InChIKeyQGWFBTCMBJQAGH-UHFFFAOYSA-N
XLogP5.14
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.45
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(methylcarbamoyl)phenyl]benzamide
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N-{3-[5-(3-Propionylamino-phenyl)-[1,3,4]oxadiazol-2-yl]-phenyl}-propionamide
CID 1921194
US10464911, Example 23
CID 126508483
US9789100, Example 29
CID 139208347
1-[3-[[2-(5-Phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone
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4-acetamido-N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide
CID 45783938
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide
CID 90681043
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-morpholin-4-ylpentanamide
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N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylpiperazin-1-yl)pentanamide
CID 90681046
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide
CID 90681047
5-(4-acetylpiperazin-1-yl)-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pentanamide
CID 90681049
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-(4-methylpiperazin-1-yl)hexanamide
CID 90681050

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide (CID 78427023) is 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide is CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(-c3nnc(C)o3)cc(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QGWFBTCMBJQAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N4O4/c1-3-36-21-11-22(34)30-12-19(21)14-4-5-15(20(26)8-14)9-23(35)31-18-7-16(24-33-32-13(2)37-24)6-17(10-18)25(27,28)29/h4-8,10-12H,3,9H2,1-2H3,(H,30,34)(H,31,35).
What are the key properties of 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide?
2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 516.45 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 78427023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).