N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide

C19H11F6N3O3 — CID 90034791

IUPACN-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
SMILESO=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H11F6N3O3/c20-18(21,22)10-1-3-13(17(30)28-11-5-6-26-16(29)8-11)14(7-10)31-12-2-4-15(27-9-12)19(23,24)25/h1-9H,(H2,26,28,29,30)
InChIKeyBSCTXVDJXNZALB-UHFFFAOYSA-N
MW443.30 g/mol
LogP4.85
Rot. Bonds4

About N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide

N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide (PubChem CID 90034791) has the molecular formula C19H11F6N3O3 and a molecular weight of 443.30 g/mol. Its IUPAC name is N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
PubChem CID90034791
Molecular FormulaC19H11F6N3O3
Molecular Weight443.30 g/mol
Exact Mass443.07
IUPAC NameN-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
SMILESO=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H11F6N3O3/c20-18(21,22)10-1-3-13(17(30)28-11-5-6-26-16(29)8-11)14(7-10)31-12-2-4-15(27-9-12)19(23,24)25/h1-9H,(H2,26,28,29,30)
InChIKeyBSCTXVDJXNZALB-UHFFFAOYSA-N
XLogP4.85
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.30
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyl-3-pyridinyl)oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 90034856
N-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
CID 155416976
N-(2-oxo-1H-pyridin-4-yl)-2-(4-propoxyphenoxy)-5-(trifluoromethyl)benzamide
CID 78323101
4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide
CID 137406845
2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide
CID 118126608
2-[2-(3-amino-3-oxopropyl)-4-fluorophenoxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 175359905
2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 90034823
N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide
CID 90302339
2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide
CID 78323102
4-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzoyl]amino]benzoic acid
CID 138748534
N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide
CID 162620602
N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol
CID 158204256

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The IUPAC name of N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide (CID 90034791) is N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The canonical SMILES for N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide is O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1Oc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The InChIKey is BSCTXVDJXNZALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6N3O3/c20-18(21,22)10-1-3-13(17(30)28-11-5-6-26-16(29)8-11)14(7-10)31-12-2-4-15(27-9-12)19(23,24)25/h1-9H,(H2,26,28,29,30).
What are the key properties of N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide has a molecular weight of 443.30 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide is sourced from PubChem (CID 90034791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).