5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide

C8H11N3O3 — CID 153382425

IUPAC5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide
SMILESCCOc1c[nH]c(/C(N)=N/O)cc1=O
InChIInChI=1S/C8H11N3O3/c1-2-14-7-4-10-5(3-6(7)12)8(9)11-13/h3-4,13H,2H2,1H3,(H2,9,11)(H,10,12)
InChIKeyMUNHKVNJTZGPTB-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.13
Rot. Bonds3

About 5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide

5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide (PubChem CID 153382425) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide
PubChem CID153382425
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide
SMILESCCOc1c[nH]c(/C(N)=N/O)cc1=O
InChIInChI=1S/C8H11N3O3/c1-2-14-7-4-10-5(3-6(7)12)8(9)11-13/h3-4,13H,2H2,1H3,(H2,9,11)(H,10,12)
InChIKeyMUNHKVNJTZGPTB-UHFFFAOYSA-N
XLogP-0.13
TPSA100.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
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 5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide?
The IUPAC name of 5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide (CID 153382425) is 5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide.
What is the SMILES notation for 5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide?
The canonical SMILES for 5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide is CCOc1c[nH]c(/C(N)=N/O)cc1=O.
What is the InChIKey of 5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide?
The InChIKey is MUNHKVNJTZGPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-14-7-4-10-5(3-6(7)12)8(9)11-13/h3-4,13H,2H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of 5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide?
5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide has a molecular weight of 197.19 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide is sourced from PubChem (CID 153382425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).