N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide

C13H19N3O2 — CID 136967342

IUPACN'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide
SMILESCC1CCCCC1Oc1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C13H19N3O2/c1-9-4-2-3-5-12(9)18-10-6-7-11(15-8-10)13(14)16-17/h6-9,12,17H,2-5H2,1H3,(H2,14,16)
InChIKeyUSOLALSMJOXSGJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.13
Rot. Bonds3

About N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide

N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide (PubChem CID 136967342) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide
PubChem CID136967342
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide
SMILESCC1CCCCC1Oc1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C13H19N3O2/c1-9-4-2-3-5-12(9)18-10-6-7-11(15-8-10)13(14)16-17/h6-9,12,17H,2-5H2,1H3,(H2,14,16)
InChIKeyUSOLALSMJOXSGJ-UHFFFAOYSA-N
XLogP2.13
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.13
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

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-yloxy)pyridine-2-carboximidamide
CID 136990868
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
N'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide
CID 136990779
5-(2-cyclopropylethoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136731200
5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136967271
4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide
CID 62924444
N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide
CID 136990781
N'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide
CID 136967354
5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990840
N'-hydroxy-5-pyridin-3-yloxypyridine-2-carboximidamide
CID 136990827

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide (CID 136967342) is N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide is CC1CCCCC1Oc1ccc(/C(N)=N/O)nc1.
What is the InChIKey of N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide?
The InChIKey is USOLALSMJOXSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-4-2-3-5-12(9)18-10-6-7-11(15-8-10)13(14)16-17/h6-9,12,17H,2-5H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide?
N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide has a molecular weight of 249.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide is sourced from PubChem (CID 136967342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).