4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

C12H17F3N4O — CID 81054312

IUPAC4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCCN(CC(F)(F)F)c1cc(C)nc(C)c1/C(N)=N/O
InChIInChI=1S/C12H17F3N4O/c1-4-19(6-12(13,14)15)9-5-7(2)17-8(3)10(9)11(16)18-20/h5,20H,4,6H2,1-3H3,(H2,16,18)
InChIKeyPSCWZKAJCRKIIR-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.18
Rot. Bonds4

About 4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81054312) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81054312
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCCN(CC(F)(F)F)c1cc(C)nc(C)c1/C(N)=N/O
InChIInChI=1S/C12H17F3N4O/c1-4-19(6-12(13,14)15)9-5-7(2)17-8(3)10(9)11(16)18-20/h5,20H,4,6H2,1-3H3,(H2,16,18)
InChIKeyPSCWZKAJCRKIIR-UHFFFAOYSA-N
XLogP2.18
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054399
N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 81054100
N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054520
4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81038134
N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 81053895
4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76934984
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768980
4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide
CID 81054890
2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 102993623
N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 102632392
4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81053977
4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 102993405

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (CID 81054312) is 4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is CCN(CC(F)(F)F)c1cc(C)nc(C)c1/C(N)=N/O.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is PSCWZKAJCRKIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-4-19(6-12(13,14)15)9-5-7(2)17-8(3)10(9)11(16)18-20/h5,20H,4,6H2,1-3H3,(H2,16,18).
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 290.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81054312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).