N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide

C11H15N3O3 — CID 136990868

IUPACN'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(OC2CCOCC2)cn1
InChIInChI=1S/C11H15N3O3/c12-11(14-15)10-2-1-9(7-13-10)17-8-3-5-16-6-4-8/h1-2,7-8,15H,3-6H2,(H2,12,14)
InChIKeyIYCAENOJVYSRLC-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.73
Rot. Bonds3

About N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide

N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide (PubChem CID 136990868) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide
PubChem CID136990868
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(OC2CCOCC2)cn1
InChIInChI=1S/C11H15N3O3/c12-11(14-15)10-2-1-9(7-13-10)17-8-3-5-16-6-4-8/h1-2,7-8,15H,3-6H2,(H2,12,14)
InChIKeyIYCAENOJVYSRLC-UHFFFAOYSA-N
XLogP0.73
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-cyclobutyloxy-N'-hydroxypyridine-2-carboximidamide
CID 136990877
N'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide
CID 136990869
N'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide
CID 136967354
5-(oxan-4-yloxy)pyridine-2-carboxylic acid
CID 66570796
1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one
CID 112583867
N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide
CID 136967342
N'-hydroxy-6-(oxan-4-yloxy)pyridine-3-carboximidamide
CID 61288784
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
5-(2-cyclopropylethoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136731200
N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide
CID 76999043
1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone
CID 83119185
N'-hydroxy-2-[4-(oxan-4-yloxy)phenyl]ethanimidamide
CID 77013671

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide (CID 136990868) is N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide is N/C(=N/O)c1ccc(OC2CCOCC2)cn1.
What is the InChIKey of N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide?
The InChIKey is IYCAENOJVYSRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-11(14-15)10-2-1-9(7-13-10)17-8-3-5-16-6-4-8/h1-2,7-8,15H,3-6H2,(H2,12,14).
What are the key properties of N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide?
N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide has a molecular weight of 237.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide is sourced from PubChem (CID 136990868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).