2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide

C11H11F3N4O2 — CID 103766928

IUPAC2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide
SMILESN#Cc1ccc(C(F)(F)F)nc1NCCOCC(N)=O
InChIInChI=1S/C11H11F3N4O2/c12-11(13,14)8-2-1-7(5-15)10(18-8)17-3-4-20-6-9(16)19/h1-2H,3-4,6H2,(H2,16,19)(H,17,18)
InChIKeyYNCRJUSXOJWYLW-UHFFFAOYSA-N
MW288.23 g/mol
LogP0.89
Rot. Bonds6

About 2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide

2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide (PubChem CID 103766928) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is 2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide
PubChem CID103766928
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Name2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide
SMILESN#Cc1ccc(C(F)(F)F)nc1NCCOCC(N)=O
InChIInChI=1S/C11H11F3N4O2/c12-11(13,14)8-2-1-7(5-15)10(18-8)17-3-4-20-6-9(16)19/h1-2H,3-4,6H2,(H2,16,19)(H,17,18)
InChIKeyYNCRJUSXOJWYLW-UHFFFAOYSA-N
XLogP0.89
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 50.89
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

N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 78966293
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide
CID 103766936
4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutanoic acid
CID 80539504
2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide
CID 106236966
N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 78965975
2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 71503682
2-[(4-methoxy-2,2-dimethylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 104624076
2-[2-(2-methylprop-2-enoxy)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 114469640
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966408
2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877007
2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869543
2-(3-methylbut-2-enylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103525261

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide (CID 103766928) is 2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide is N#Cc1ccc(C(F)(F)F)nc1NCCOCC(N)=O.
What is the InChIKey of 2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide?
The InChIKey is YNCRJUSXOJWYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c12-11(13,14)8-2-1-7(5-15)10(18-8)17-3-4-20-6-9(16)19/h1-2H,3-4,6H2,(H2,16,19)(H,17,18).
What are the key properties of 2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide?
2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide has a molecular weight of 288.23 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide is sourced from PubChem (CID 103766928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).