4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

C12H17N3O2 — CID 81054177

IUPAC4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(OC2CCC2)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C12H17N3O2/c1-7-6-10(17-9-4-3-5-9)11(8(2)14-7)12(13)15-16/h6,9,16H,3-5H2,1-2H3,(H2,13,15)
InChIKeyGDAIHLFKRWRXRX-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.72
Rot. Bonds3

About 4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81054177) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81054177
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(OC2CCC2)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C12H17N3O2/c1-7-6-10(17-9-4-3-5-9)11(8(2)14-7)12(13)15-16/h6,9,16H,3-5H2,1-2H3,(H2,13,15)
InChIKeyGDAIHLFKRWRXRX-UHFFFAOYSA-N
XLogP1.72
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.72
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 4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (CID 81054177) is 4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is Cc1cc(OC2CCC2)c(/C(N)=N/O)c(C)n1.
What is the InChIKey of 4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is GDAIHLFKRWRXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7-6-10(17-9-4-3-5-9)11(8(2)14-7)12(13)15-16/h6,9,16H,3-5H2,1-2H3,(H2,13,15).
What are the key properties of 4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 235.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81054177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).