4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide

C23H21F3N4O3 — CID 137406845

IUPAC4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccnc(C(N)=O)c2)c(Oc2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C23H21F3N4O3/c1-22(2,3)13-4-6-16(21(32)30-14-8-9-28-17(11-14)20(27)31)18(10-13)33-15-5-7-19(29-12-15)23(24,25)26/h4-12H,1-3H3,(H2,27,31)(H,28,30,32)
InChIKeyRVYAQCXMRMSTDG-UHFFFAOYSA-N
MW458.44 g/mol
LogP4.94
Rot. Bonds5

About 4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide

4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide (PubChem CID 137406845) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is 4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide
PubChem CID137406845
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccnc(C(N)=O)c2)c(Oc2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C23H21F3N4O3/c1-22(2,3)13-4-6-16(21(32)30-14-8-9-28-17(11-14)20(27)31)18(10-13)33-15-5-7-19(29-12-15)23(24,25)26/h4-12H,1-3H3,(H2,27,31)(H,28,30,32)
InChIKeyRVYAQCXMRMSTDG-UHFFFAOYSA-N
XLogP4.94
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
CID 90034791
6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 137406306
4-[[2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide
CID 137406803
N-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
CID 155416976
N-[2-(1-aminoethenyl)-4-pyridinyl]-6-tert-butyl-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 160753957
4-[[4-(4-fluorophenyl)-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 167370759
4-[[2-fluoro-6-(4-fluorophenoxy)-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 137410935
4-[[3-methyl-2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645427
4-aminopyridine-2-carboxamide;4-[[5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide;5-(1,1,2,2,2-pentafluoroethyl)-2-[4-(trifluoromethoxy)phenoxy]benzoyl chloride
CID 161499758
N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 137406698
4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370765
4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370790

Frequently Asked Questions

What is the IUPAC name of 4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide (CID 137406845) is 4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide is CC(C)(C)c1ccc(C(=O)Nc2ccnc(C(N)=O)c2)c(Oc2ccc(C(F)(F)F)nc2)c1.
What is the InChIKey of 4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is RVYAQCXMRMSTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-22(2,3)13-4-6-16(21(32)30-14-8-9-28-17(11-14)20(27)31)18(10-13)33-15-5-7-19(29-12-15)23(24,25)26/h4-12H,1-3H3,(H2,27,31)(H,28,30,32).
What are the key properties of 4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide?
4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 137406845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).