3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide

C21H19F3N4O2 — CID 55932884

IUPAC3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
SMILESO=C(NCCNc1ncccc1C(F)(F)F)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C21H19F3N4O2/c22-21(23,24)18-7-3-9-26-19(18)27-10-11-28-20(29)16-5-1-6-17(12-16)30-14-15-4-2-8-25-13-15/h1-9,12-13H,10-11,14H2,(H,26,27)(H,28,29)
InChIKeyZSNYPHPSCDAWRT-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.92
Rot. Bonds8

About 3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide

3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide (PubChem CID 55932884) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
PubChem CID55932884
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC Name3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
SMILESO=C(NCCNc1ncccc1C(F)(F)F)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C21H19F3N4O2/c22-21(23,24)18-7-3-9-26-19(18)27-10-11-28-20(29)16-5-1-6-17(12-16)30-14-15-4-2-8-25-13-15/h1-9,12-13H,10-11,14H2,(H,26,27)(H,28,29)
InChIKeyZSNYPHPSCDAWRT-UHFFFAOYSA-N
XLogP3.92
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46490817
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 111483720
N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide
CID 47091227
N-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55775742
N-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 112832589
3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55933893
2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 87036570
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The IUPAC name of 3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide (CID 55932884) is 3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The canonical SMILES for 3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide is O=C(NCCNc1ncccc1C(F)(F)F)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of 3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The InChIKey is ZSNYPHPSCDAWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c22-21(23,24)18-7-3-9-26-19(18)27-10-11-28-20(29)16-5-1-6-17(12-16)30-14-15-4-2-8-25-13-15/h1-9,12-13H,10-11,14H2,(H,26,27)(H,28,29).
What are the key properties of 3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide has a molecular weight of 416.40 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide is sourced from PubChem (CID 55932884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).