6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide

C22H20F3N3O2 — CID 68752063

IUPAC6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CCNCc3ccc(C(F)(F)F)cc3)cc2)nc1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)18-6-1-16(2-7-18)13-27-12-11-15-3-8-19(9-4-15)30-20-10-5-17(14-28-20)21(26)29/h1-10,14,27H,11-13H2,(H2,26,29)
InChIKeySTXJCAVIYLPLJC-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.32
Rot. Bonds8

About 6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide

6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 68752063) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID68752063
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CCNCc3ccc(C(F)(F)F)cc3)cc2)nc1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)18-6-1-16(2-7-18)13-27-12-11-15-3-8-19(9-4-15)30-20-10-5-17(14-28-20)21(26)29/h1-10,14,27H,11-13H2,(H2,26,29)
InChIKeySTXJCAVIYLPLJC-UHFFFAOYSA-N
XLogP4.32
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018
6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746496
6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68748065
6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 59730004
6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide
CID 59729915
6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746071
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
ethanol;methane;bis(6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide);hydrochloride
CID 161325943
N-hydroxy-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 135313676
6-[4-[2-methyl-2-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68746672
6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide
CID 68746356
CID 158977644
CID 158977644

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide (CID 68752063) is 6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(CCNCc3ccc(C(F)(F)F)cc3)cc2)nc1.
What is the InChIKey of 6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is STXJCAVIYLPLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)18-6-1-16(2-7-18)13-27-12-11-15-3-8-19(9-4-15)30-20-10-5-17(14-28-20)21(26)29/h1-10,14,27H,11-13H2,(H2,26,29).
What are the key properties of 6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68752063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).