2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide

C12H15F3N4O — CID 79877590

IUPAC2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESCN(CC1CC1)c1nc(C(F)(F)F)ccc1C(N)=NO
InChIInChI=1S/C12H15F3N4O/c1-19(6-7-2-3-7)11-8(10(16)18-20)4-5-9(17-11)12(13,14)15/h4-5,7,20H,2-3,6H2,1H3,(H2,16,18)
InChIKeyWCXHHPZASLEQTK-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.04
Rot. Bonds4

About 2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide

2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79877590) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79877590
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESCN(CC1CC1)c1nc(C(F)(F)F)ccc1C(N)=NO
InChIInChI=1S/C12H15F3N4O/c1-19(6-7-2-3-7)11-8(10(16)18-20)4-5-9(17-11)12(13,14)15/h4-5,7,20H,2-3,6H2,1H3,(H2,16,18)
InChIKeyWCXHHPZASLEQTK-UHFFFAOYSA-N
XLogP2.04
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.04
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

N'-hydroxy-2-[methyl(2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877254
2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79876921
2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875324
2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 78971246
3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 79873857
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877127
2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76950871
2-cyclopentyloxy-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877458
2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55152255
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79876784
2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916100
N'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79874778

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79877590) is 2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide is CN(CC1CC1)c1nc(C(F)(F)F)ccc1C(N)=NO.
What is the InChIKey of 2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is WCXHHPZASLEQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c1-19(6-7-2-3-7)11-8(10(16)18-20)4-5-9(17-11)12(13,14)15/h4-5,7,20H,2-3,6H2,1H3,(H2,16,18).
What are the key properties of 2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 288.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79877590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).