2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide

C15H23N3O2 — CID 77054170

IUPAC2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(OC2CC(C)CC(C)C2)n1
InChIInChI=1S/C15H23N3O2/c1-9-6-10(2)8-12(7-9)20-15-13(14(16)18-19)5-4-11(3)17-15/h4-5,9-10,12,19H,6-8H2,1-3H3,(H2,16,18)
InChIKeyGAZAKEGMBNPYLY-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.69
Rot. Bonds3

About 2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide

2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 77054170) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID77054170
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(OC2CC(C)CC(C)C2)n1
InChIInChI=1S/C15H23N3O2/c1-9-6-10(2)8-12(7-9)20-15-13(14(16)18-19)5-4-11(3)17-15/h4-5,9-10,12,19H,6-8H2,1-3H3,(H2,16,18)
InChIKeyGAZAKEGMBNPYLY-UHFFFAOYSA-N
XLogP2.69
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 77054170) is 2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(C(N)=NO)c(OC2CC(C)CC(C)C2)n1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is GAZAKEGMBNPYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9-6-10(2)8-12(7-9)20-15-13(14(16)18-19)5-4-11(3)17-15/h4-5,9-10,12,19H,6-8H2,1-3H3,(H2,16,18).
What are the key properties of 2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 277.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 77054170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).