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

C15H17N3O3 — CID 76916371

IUPAC2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCCOc1ccccc1Oc1nc(C)ccc1C(N)=NO
InChIInChI=1S/C15H17N3O3/c1-3-20-12-6-4-5-7-13(12)21-15-11(14(16)18-19)9-8-10(2)17-15/h4-9,19H,3H2,1-2H3,(H2,16,18)
InChIKeyURQFVXONMVKMPS-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.68
Rot. Bonds5

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

2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 76916371) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID76916371
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCCOc1ccccc1Oc1nc(C)ccc1C(N)=NO
InChIInChI=1S/C15H17N3O3/c1-3-20-12-6-4-5-7-13(12)21-15-11(14(16)18-19)9-8-10(2)17-15/h4-9,19H,3H2,1-2H3,(H2,16,18)
InChIKeyURQFVXONMVKMPS-UHFFFAOYSA-N
XLogP2.68
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.68
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-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916350
N'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 107712563
2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916332
2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916311
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 76916322
2-(2-bromo-4-fluorophenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916330
2-(2-chloro-5-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916295
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916435
N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide
CID 82788948
6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 24690415
N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 43200019

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 76916371) is 2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide is CCOc1ccccc1Oc1nc(C)ccc1C(N)=NO.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is URQFVXONMVKMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-20-12-6-4-5-7-13(12)21-15-11(14(16)18-19)9-8-10(2)17-15/h4-9,19H,3H2,1-2H3,(H2,16,18).
What are the key properties of 2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 287.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 76916371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).