6-(4-aminophenoxy)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide

C23H18F3N5O4 — CID 71558584

IUPAC6-(4-aminophenoxy)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide
SMILESNc1ccc(Oc2cccc(C(=O)NCCOc3ccc(-c4noc(C(F)(F)F)n4)cc3)n2)cc1
InChIInChI=1S/C23H18F3N5O4/c24-23(25,26)22-30-20(31-35-22)14-4-8-16(9-5-14)33-13-12-28-21(32)18-2-1-3-19(29-18)34-17-10-6-15(27)7-11-17/h1-11H,12-13,27H2,(H,28,32)
InChIKeyGSDXJVWKPSKJKG-UHFFFAOYSA-N
MW485.42 g/mol
LogP4.33
Rot. Bonds8

About 6-(4-aminophenoxy)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide

6-(4-aminophenoxy)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide (PubChem CID 71558584) has the molecular formula C23H18F3N5O4 and a molecular weight of 485.42 g/mol. Its IUPAC name is 6-(4-aminophenoxy)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-aminophenoxy)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide
PubChem CID71558584
Molecular FormulaC23H18F3N5O4
Molecular Weight485.42 g/mol
Exact Mass485.13
IUPAC Name6-(4-aminophenoxy)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide
SMILESNc1ccc(Oc2cccc(C(=O)NCCOc3ccc(-c4noc(C(F)(F)F)n4)cc3)n2)cc1
InChIInChI=1S/C23H18F3N5O4/c24-23(25,26)22-30-20(31-35-22)14-4-8-16(9-5-14)33-13-12-28-21(32)18-2-1-3-19(29-18)34-17-10-6-15(27)7-11-17/h1-11H,12-13,27H2,(H,28,32)
InChIKeyGSDXJVWKPSKJKG-UHFFFAOYSA-N
XLogP4.33
TPSA125.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide
CID 71558280
3,5-dimethoxy-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]benzamide
CID 71557142
(E)-3-phenyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide
CID 71556990
N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]-1H-indole-5-carboxamide
CID 71557310
[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl] N-(2-methoxyethyl)carbamate
CID 145340160
N-(3-hydroxypropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230893
N-[2-(4-aminophenoxy)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 63237844
N-(3-ethoxypropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489886
N-(2-phenylsulfanylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 86777421
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 38450854
2-[[3-[4-[[6-(methylcarbamoyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]methyl]prop-2-enoic acid
CID 170637181

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenoxy)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-(4-aminophenoxy)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide (CID 71558584) is 6-(4-aminophenoxy)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-aminophenoxy)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(4-aminophenoxy)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide is Nc1ccc(Oc2cccc(C(=O)NCCOc3ccc(-c4noc(C(F)(F)F)n4)cc3)n2)cc1.
What is the InChIKey of 6-(4-aminophenoxy)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide?
The InChIKey is GSDXJVWKPSKJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O4/c24-23(25,26)22-30-20(31-35-22)14-4-8-16(9-5-14)33-13-12-28-21(32)18-2-1-3-19(29-18)34-17-10-6-15(27)7-11-17/h1-11H,12-13,27H2,(H,28,32).
What are the key properties of 6-(4-aminophenoxy)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide?
6-(4-aminophenoxy)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide has a molecular weight of 485.42 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenoxy)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 71558584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).