N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide

C13H19N3O2 — CID 24699534

IUPACN'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide
SMILESCC1CCC(Oc2ncccc2/C(N)=N/O)CC1
InChIInChI=1S/C13H19N3O2/c1-9-4-6-10(7-5-9)18-13-11(12(14)16-17)3-2-8-15-13/h2-3,8-10,17H,4-7H2,1H3,(H2,14,16)
InChIKeyBJJDZUOWDJHVOW-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.13
Rot. Bonds3

About N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide

N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide (PubChem CID 24699534) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide
PubChem CID24699534
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide
SMILESCC1CCC(Oc2ncccc2/C(N)=N/O)CC1
InChIInChI=1S/C13H19N3O2/c1-9-4-6-10(7-5-9)18-13-11(12(14)16-17)3-2-8-15-13/h2-3,8-10,17H,4-7H2,1H3,(H2,14,16)
InChIKeyBJJDZUOWDJHVOW-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

3-bromo-2-(4-methylcyclohexyl)oxypyridine
CID 61373555
2-cyclopentyloxypyridine-3-carbothioamide
CID 24707361
2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride
CID 112572932
N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
CID 24711030
4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114904230
2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide
CID 77077430
N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 43188242
N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
CID 43108551
1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone
CID 71216687
N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine
CID 62290124
2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 77054506
2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124585246

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide (CID 24699534) is N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide is CC1CCC(Oc2ncccc2/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide?
The InChIKey is BJJDZUOWDJHVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-4-6-10(7-5-9)18-13-11(12(14)16-17)3-2-8-15-13/h2-3,8-10,17H,4-7H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide?
N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-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-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide is sourced from PubChem (CID 24699534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).