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

C12H17F3N4O — CID 79877254

IUPACN'-hydroxy-2-[methyl(2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESCC(C)CN(C)c1nc(C(F)(F)F)ccc1C(N)=NO
InChIInChI=1S/C12H17F3N4O/c1-7(2)6-19(3)11-8(10(16)18-20)4-5-9(17-11)12(13,14)15/h4-5,7,20H,6H2,1-3H3,(H2,16,18)
InChIKeyUOJNIXRAAOKMAW-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.29
Rot. Bonds4

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

N'-hydroxy-2-[methyl(2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79877254) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79877254
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN'-hydroxy-2-[methyl(2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESCC(C)CN(C)c1nc(C(F)(F)F)ccc1C(N)=NO
InChIInChI=1S/C12H17F3N4O/c1-7(2)6-19(3)11-8(10(16)18-20)4-5-9(17-11)12(13,14)15/h4-5,7,20H,6H2,1-3H3,(H2,16,18)
InChIKeyUOJNIXRAAOKMAW-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[methyl(2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79877254) is N'-hydroxy-2-[methyl(2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide is CC(C)CN(C)c1nc(C(F)(F)F)ccc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[methyl(2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is UOJNIXRAAOKMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-7(2)6-19(3)11-8(10(16)18-20)4-5-9(17-11)12(13,14)15/h4-5,7,20H,6H2,1-3H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-[methyl(2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
N'-hydroxy-2-[methyl(2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 290.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79877254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).