2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide

C13H19N3O2 — CID 114157502

IUPAC2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(OCCC2CCC2)n1
InChIInChI=1S/C13H19N3O2/c1-9-5-6-11(12(14)16-17)13(15-9)18-8-7-10-3-2-4-10/h5-6,10,17H,2-4,7-8H2,1H3,(H2,14,16)
InChIKeyDXRSZZZUGAAOII-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.05
Rot. Bonds5

About 2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide

2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 114157502) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID114157502
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(OCCC2CCC2)n1
InChIInChI=1S/C13H19N3O2/c1-9-5-6-11(12(14)16-17)13(15-9)18-8-7-10-3-2-4-10/h5-6,10,17H,2-4,7-8H2,1H3,(H2,14,16)
InChIKeyDXRSZZZUGAAOII-UHFFFAOYSA-N
XLogP2.05
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.05
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-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide
CID 82788948
2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916350
2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916332
3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide
CID 137011760
2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916311
2-(2-cyclobutylethoxy)-6-methoxypyridine-3-carboxamide
CID 130249219
6-methyl-2-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide
CID 114796426
2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide
CID 106201905
3-(2-cyclobutylethoxy)-5,6-diethyl-N'-hydroxypyridazine-4-carboximidamide
CID 136731216
2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 77054506
2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 77054170
N'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide
CID 77102488

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 114157502) is 2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(/C(N)=N/O)c(OCCC2CCC2)n1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is DXRSZZZUGAAOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-5-6-11(12(14)16-17)13(15-9)18-8-7-10-3-2-4-10/h5-6,10,17H,2-4,7-8H2,1H3,(H2,14,16).
What are the key properties of 2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 249.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 114157502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).