N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide

C11H17N3O2 — CID 43128332

IUPACN'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide
SMILESCCC(C)(C)Oc1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C11H17N3O2/c1-4-11(2,3)16-9-6-5-8(7-13-9)10(12)14-15/h5-7,15H,4H2,1-3H3,(H2,12,14)
InChIKeyTZKGUFRYWUHIQP-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.74
Rot. Bonds4

About N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide

N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide (PubChem CID 43128332) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide
PubChem CID43128332
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide
SMILESCCC(C)(C)Oc1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C11H17N3O2/c1-4-11(2,3)16-9-6-5-8(7-13-9)10(12)14-15/h5-7,15H,4H2,1-3H3,(H2,12,14)
InChIKeyTZKGUFRYWUHIQP-UHFFFAOYSA-N
XLogP1.74
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.74
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-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide (CID 43128332) is N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide is CCC(C)(C)Oc1ccc(/C(N)=N/O)cn1.
What is the InChIKey of N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide?
The InChIKey is TZKGUFRYWUHIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-11(2,3)16-9-6-5-8(7-13-9)10(12)14-15/h5-7,15H,4H2,1-3H3,(H2,12,14).
What are the key properties of N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide?
N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide has a molecular weight of 223.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide is sourced from PubChem (CID 43128332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).