N'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide

C15H23N3O3 — CID 77016859

IUPACN'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCOC1CCCC(Oc2nc(C)cc(C)c2C(N)=NO)C1
InChIInChI=1S/C15H23N3O3/c1-9-7-10(2)17-15(13(9)14(16)18-19)21-12-6-4-5-11(8-12)20-3/h7,11-12,19H,4-6,8H2,1-3H3,(H2,16,18)
InChIKeyNWPRXAWLFNNBNQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.13
Rot. Bonds4

About N'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide

N'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 77016859) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide
PubChem CID77016859
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCOC1CCCC(Oc2nc(C)cc(C)c2C(N)=NO)C1
InChIInChI=1S/C15H23N3O3/c1-9-7-10(2)17-15(13(9)14(16)18-19)21-12-6-4-5-11(8-12)20-3/h7,11-12,19H,4-6,8H2,1-3H3,(H2,16,18)
InChIKeyNWPRXAWLFNNBNQ-UHFFFAOYSA-N
XLogP2.13
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.13
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

2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 114341169
4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054177
2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid
CID 61004153
4,6-dimethyl-2-(4-methylcyclohexyl)oxypyridine-3-carbothioamide
CID 61175977
N'-hydroxy-2-(1-methoxypropan-2-yloxy)-4,6-dimethylpyridine-3-carboximidamide
CID 77015874
N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562174
N'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide
CID 137013763
2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide
CID 107279013
N'-hydroxy-2-(3-methoxyphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175614
N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide
CID 77003380
N'-hydroxy-4-[(3-methoxycyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483299
2-(3,5-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61177320

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide (CID 77016859) is N'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide is COC1CCCC(Oc2nc(C)cc(C)c2C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is NWPRXAWLFNNBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9-7-10(2)17-15(13(9)14(16)18-19)21-12-6-4-5-11(8-12)20-3/h7,11-12,19H,4-6,8H2,1-3H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide?
N'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 293.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 77016859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).