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

C11H11F3N4O — CID 78966293

IUPACN-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C11H11F3N4O/c1-7(19)16-4-5-17-10-8(6-15)2-3-9(18-10)11(12,13)14/h2-3H,4-5H2,1H3,(H,16,19)(H,17,18)
InChIKeyJYUUGIRHPIXBDU-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.52
Rot. Bonds4

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

N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 78966293) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
PubChem CID78966293
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC NameN-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C11H11F3N4O/c1-7(19)16-4-5-17-10-8(6-15)2-3-9(18-10)11(12,13)14/h2-3H,4-5H2,1H3,(H,16,19)(H,17,18)
InChIKeyJYUUGIRHPIXBDU-UHFFFAOYSA-N
XLogP1.52
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.52
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

4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutanoic acid
CID 80539504
N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 78965975
2-(3-methylbut-2-enylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103525261
2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide
CID 103766928
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966408
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207
N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide
CID 3221668
2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 71503682
2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877007
2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
CID 79868853
2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877084
2-[(1-hydroxycyclobutyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115629510

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (CID 78966293) is N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is CC(=O)NCCNc1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The InChIKey is JYUUGIRHPIXBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-7(19)16-4-5-17-10-8(6-15)2-3-9(18-10)11(12,13)14/h2-3H,4-5H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 272.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 78966293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).