5-ethoxy-N'-hydroxy-4-methoxypyridine-2-carboximidamide

C9H13N3O3 — CID 155071926

IUPAC5-ethoxy-N'-hydroxy-4-methoxypyridine-2-carboximidamide
SMILESCCOc1cnc(C(N)=NO)cc1OC
InChIInChI=1S/C9H13N3O3/c1-3-15-8-5-11-6(9(10)12-13)4-7(8)14-2/h4-5,13H,3H2,1-2H3,(H2,10,12)
InChIKeyLEXIXJJUIZSEPK-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.58
Rot. Bonds4

About 5-ethoxy-N'-hydroxy-4-methoxypyridine-2-carboximidamide

5-ethoxy-N'-hydroxy-4-methoxypyridine-2-carboximidamide (PubChem CID 155071926) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-ethoxy-N'-hydroxy-4-methoxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-ethoxy-N'-hydroxy-4-methoxypyridine-2-carboximidamide
PubChem CID155071926
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name5-ethoxy-N'-hydroxy-4-methoxypyridine-2-carboximidamide
SMILESCCOc1cnc(C(N)=NO)cc1OC
InChIInChI=1S/C9H13N3O3/c1-3-15-8-5-11-6(9(10)12-13)4-7(8)14-2/h4-5,13H,3H2,1-2H3,(H2,10,12)
InChIKeyLEXIXJJUIZSEPK-UHFFFAOYSA-N
XLogP0.58
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.58
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

4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
5-ethoxy-N-hydroxy-4-methoxypyridine-2-carboxamide
CID 175442250
ethanol;methyl 5-ethoxy-4-methoxypyridine-2-carboxylate;methyl 5-hydroxy-4-methoxypyridine-2-carboxylate
CID 159885056
N-[(Z)-2-amino-2-(4-ethoxy-5-methoxy-2-pyridinyl)ethenyl]methanesulfonamide
CID 146412088
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
3-bromo-4-ethoxy-N'-hydroxybenzenecarboximidamide
CID 82799087
5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990840
4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 60929088
6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 24690415
2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76945151
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine
CID 110893217

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N'-hydroxy-4-methoxypyridine-2-carboximidamide?
The IUPAC name of 5-ethoxy-N'-hydroxy-4-methoxypyridine-2-carboximidamide (CID 155071926) is 5-ethoxy-N'-hydroxy-4-methoxypyridine-2-carboximidamide.
What is the SMILES notation for 5-ethoxy-N'-hydroxy-4-methoxypyridine-2-carboximidamide?
The canonical SMILES for 5-ethoxy-N'-hydroxy-4-methoxypyridine-2-carboximidamide is CCOc1cnc(C(N)=NO)cc1OC.
What is the InChIKey of 5-ethoxy-N'-hydroxy-4-methoxypyridine-2-carboximidamide?
The InChIKey is LEXIXJJUIZSEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-15-8-5-11-6(9(10)12-13)4-7(8)14-2/h4-5,13H,3H2,1-2H3,(H2,10,12).
What are the key properties of 5-ethoxy-N'-hydroxy-4-methoxypyridine-2-carboximidamide?
5-ethoxy-N'-hydroxy-4-methoxypyridine-2-carboximidamide has a molecular weight of 211.22 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N'-hydroxy-4-methoxypyridine-2-carboximidamide is sourced from PubChem (CID 155071926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).