2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide

C9H13N3O2 — CID 76916350

IUPAC2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCCOc1nc(C)ccc1C(N)=NO
InChIInChI=1S/C9H13N3O2/c1-3-14-9-7(8(10)12-13)5-4-6(2)11-9/h4-5,13H,3H2,1-2H3,(H2,10,12)
InChIKeyPGCNFDZYEQDYBO-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.88
Rot. Bonds3

About 2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide

2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 76916350) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID76916350
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCCOc1nc(C)ccc1C(N)=NO
InChIInChI=1S/C9H13N3O2/c1-3-14-9-7(8(10)12-13)5-4-6(2)11-9/h4-5,13H,3H2,1-2H3,(H2,10,12)
InChIKeyPGCNFDZYEQDYBO-UHFFFAOYSA-N
XLogP0.88
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.88
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

2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916371
2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916332
2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916311
N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide
CID 82788948
2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 114157502
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 76916322
N'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide
CID 77102488
2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 77054506
N'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 107712563
2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 77054170
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 6295052

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 76916350) is 2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide is CCOc1nc(C)ccc1C(N)=NO.
What is the InChIKey of 2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is PGCNFDZYEQDYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-14-9-7(8(10)12-13)5-4-6(2)11-9/h4-5,13H,3H2,1-2H3,(H2,10,12).
What are the key properties of 2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 195.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 76916350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).