N'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide

C14H21N3O2 — CID 137013763

IUPACN'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(OC2CCCC(C)C2)n1
InChIInChI=1S/C14H21N3O2/c1-9-4-3-5-12(6-9)19-13-8-11(14(15)17-18)7-10(2)16-13/h7-9,12,18H,3-6H2,1-2H3,(H2,15,17)
InChIKeyAUFABSIBTISRJR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.44
Rot. Bonds3

About N'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide

N'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide (PubChem CID 137013763) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide
PubChem CID137013763
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(OC2CCCC(C)C2)n1
InChIInChI=1S/C14H21N3O2/c1-9-4-3-5-12(6-9)19-13-8-11(14(15)17-18)7-10(2)16-13/h7-9,12,18H,3-6H2,1-2H3,(H2,15,17)
InChIKeyAUFABSIBTISRJR-UHFFFAOYSA-N
XLogP2.44
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.44
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

N'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 103567551
[4-methyl-6-(3-methylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80909599
N'-hydroxy-6-(3-methylcyclohexyl)oxy-3-nitropyridine-2-carboximidamide
CID 136890275
2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013422
4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054177
2-(4,4-dimethylcyclohexyl)oxy-6-methylpyridine-4-carbothioamide
CID 114768254
N'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide
CID 77016859
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 136794793
2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 107536167
2-methyl-6-piperidin-3-yloxypyridine-4-carboxamide
CID 114770439
4-cyclobutyloxy-2,6-dimethylpyrimidine
CID 126953843
4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 76936695

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide (CID 137013763) is N'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(OC2CCCC(C)C2)n1.
What is the InChIKey of N'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide?
The InChIKey is AUFABSIBTISRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-4-3-5-12(6-9)19-13-8-11(14(15)17-18)7-10(2)16-13/h7-9,12,18H,3-6H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide?
N'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide has a molecular weight of 263.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide is sourced from PubChem (CID 137013763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).