2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide

C13H19F3N4O — CID 79875010

IUPAC2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N(CC)CC(C)(C)O
InChIInChI=1S/C13H19F3N4O/c1-4-20(7-12(2,3)21)11-8(10(17)18)5-6-9(19-11)13(14,15)16/h5-6,21H,4,7H2,1-3H3,(H3,17,18)
InChIKeyFKHIEMLZXYUTFQ-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.98
Rot. Bonds5

About 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79875010) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79875010
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N(CC)CC(C)(C)O
InChIInChI=1S/C13H19F3N4O/c1-4-20(7-12(2,3)21)11-8(10(17)18)5-6-9(19-11)13(14,15)16/h5-6,21H,4,7H2,1-3H3,(H3,17,18)
InChIKeyFKHIEMLZXYUTFQ-UHFFFAOYSA-N
XLogP1.98
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877396
2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877125
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875332
2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875005
2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877400
2-[3-hydroxypropyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79874812
2-chloro-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 79387648
2-[2-hydroxyethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877260
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877127
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide
CID 79386836
2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877333
5-bromo-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 114893089

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79875010) is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1N(CC)CC(C)(C)O.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is FKHIEMLZXYUTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-4-20(7-12(2,3)21)11-8(10(17)18)5-6-9(19-11)13(14,15)16/h5-6,21H,4,7H2,1-3H3,(H3,17,18).
What are the key properties of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 304.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79875010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).