3-(4-butan-2-ylphenoxy)-N'-hydroxypyridine-2-carboximidamide

C16H19N3O2 — CID 136809913

IUPAC3-(4-butan-2-ylphenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESCCC(C)c1ccc(Oc2cccnc2/C(N)=N/O)cc1
InChIInChI=1S/C16H19N3O2/c1-3-11(2)12-6-8-13(9-7-12)21-14-5-4-10-18-15(14)16(17)19-20/h4-11,20H,3H2,1-2H3,(H2,17,19)
InChIKeyDCZJSMUUPLXYCI-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.48
Rot. Bonds5

About 3-(4-butan-2-ylphenoxy)-N'-hydroxypyridine-2-carboximidamide

3-(4-butan-2-ylphenoxy)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136809913) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(4-butan-2-ylphenoxy)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name3-(4-butan-2-ylphenoxy)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136809913
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(4-butan-2-ylphenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESCCC(C)c1ccc(Oc2cccnc2/C(N)=N/O)cc1
InChIInChI=1S/C16H19N3O2/c1-3-11(2)12-6-8-13(9-7-12)21-14-5-4-10-18-15(14)16(17)19-20/h4-11,20H,3H2,1-2H3,(H2,17,19)
InChIKeyDCZJSMUUPLXYCI-UHFFFAOYSA-N
XLogP3.48
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.48
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

3-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136745399
2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide
CID 107665100
3-(4-butan-2-ylphenoxy)pyridine
CID 143794326
3-(4-butan-2-ylphenoxy)pyridine-4-carbothioamide
CID 107664883
N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 107668187
1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 107665361
5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide
CID 107665073
3-(4-ethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide
CID 135983592
2-bromo-6-(4-butan-2-ylphenoxy)benzenecarboximidamide
CID 107665095
3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136730869
3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136860116
2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline
CID 26189675

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylphenoxy)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 3-(4-butan-2-ylphenoxy)-N'-hydroxypyridine-2-carboximidamide (CID 136809913) is 3-(4-butan-2-ylphenoxy)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 3-(4-butan-2-ylphenoxy)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 3-(4-butan-2-ylphenoxy)-N'-hydroxypyridine-2-carboximidamide is CCC(C)c1ccc(Oc2cccnc2/C(N)=N/O)cc1.
What is the InChIKey of 3-(4-butan-2-ylphenoxy)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is DCZJSMUUPLXYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-11(2)12-6-8-13(9-7-12)21-14-5-4-10-18-15(14)16(17)19-20/h4-11,20H,3H2,1-2H3,(H2,17,19).
What are the key properties of 3-(4-butan-2-ylphenoxy)-N'-hydroxypyridine-2-carboximidamide?
3-(4-butan-2-ylphenoxy)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 285.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylphenoxy)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136809913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).