N'-hydroxy-2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboximidamide

C11H15F3N4O — CID 81054168

IUPACN'-hydroxy-2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboximidamide
SMILESCc1cc(N(C)CC(F)(F)F)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C11H15F3N4O/c1-6-4-8(18(3)5-11(12,13)14)9(7(2)16-6)10(15)17-19/h4,19H,5H2,1-3H3,(H2,15,17)
InChIKeyVWXFVMVQMLRVMC-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.79
Rot. Bonds3

About N'-hydroxy-2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboximidamide

N'-hydroxy-2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboximidamide (PubChem CID 81054168) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N'-hydroxy-2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboximidamide
PubChem CID81054168
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN'-hydroxy-2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboximidamide
SMILESCc1cc(N(C)CC(F)(F)F)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C11H15F3N4O/c1-6-4-8(18(3)5-11(12,13)14)9(7(2)16-6)10(15)17-19/h4,19H,5H2,1-3H3,(H2,15,17)
InChIKeyVWXFVMVQMLRVMC-UHFFFAOYSA-N
XLogP1.79
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.79
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-2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboximidamide (CID 81054168) is N'-hydroxy-2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboximidamide is Cc1cc(N(C)CC(F)(F)F)c(/C(N)=N/O)c(C)n1.
What is the InChIKey of N'-hydroxy-2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboximidamide?
The InChIKey is VWXFVMVQMLRVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-6-4-8(18(3)5-11(12,13)14)9(7(2)16-6)10(15)17-19/h4,19H,5H2,1-3H3,(H2,15,17).
What are the key properties of N'-hydroxy-2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboximidamide?
N'-hydroxy-2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboximidamide has a molecular weight of 276.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 81054168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).