5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide

C10H16N4O2 — CID 136990515

IUPAC5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide
SMILESCCN(CCO)c1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C10H16N4O2/c1-2-14(5-6-15)8-3-4-9(12-7-8)10(11)13-16/h3-4,7,15-16H,2,5-6H2,1H3,(H2,11,13)
InChIKeyYAMBJGVCAOOFAX-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.01
Rot. Bonds5

About 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide

5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136990515) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136990515
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide
SMILESCCN(CCO)c1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C10H16N4O2/c1-2-14(5-6-15)8-3-4-9(12-7-8)10(11)13-16/h3-4,7,15-16H,2,5-6H2,1H3,(H2,11,13)
InChIKeyYAMBJGVCAOOFAX-UHFFFAOYSA-N
XLogP-0.01
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide (CID 136990515) is 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide is CCN(CCO)c1ccc(/C(N)=N/O)nc1.
What is the InChIKey of 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is YAMBJGVCAOOFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-14(5-6-15)8-3-4-9(12-7-8)10(11)13-16/h3-4,7,15-16H,2,5-6H2,1H3,(H2,11,13).
What are the key properties of 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide?
5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 224.26 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136990515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).