2-(2-tert-butylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide

C17H21N3O2 — CID 56661483

IUPAC2-(2-tert-butylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C17H21N3O2/c1-11-9-10-12(15(18)20-21)16(19-11)22-14-8-6-5-7-13(14)17(2,3)4/h5-10,21H,1-4H3,(H2,18,20)
InChIKeyHKUDQLOLJYOUSI-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.57
Rot. Bonds3

About 2-(2-tert-butylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide

2-(2-tert-butylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 56661483) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID56661483
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(2-tert-butylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C17H21N3O2/c1-11-9-10-12(15(18)20-21)16(19-11)22-14-8-6-5-7-13(14)17(2,3)4/h5-10,21H,1-4H3,(H2,18,20)
InChIKeyHKUDQLOLJYOUSI-UHFFFAOYSA-N
XLogP3.57
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.57
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 2-(2-tert-butylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 56661483) is 2-(2-tert-butylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(/C(N)=N/O)c(Oc2ccccc2C(C)(C)C)n1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is HKUDQLOLJYOUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-9-10-12(15(18)20-21)16(19-11)22-14-8-6-5-7-13(14)17(2,3)4/h5-10,21H,1-4H3,(H2,18,20).
What are the key properties of 2-(2-tert-butylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-(2-tert-butylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 299.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 56661483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).