3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide

C13H22N4O2 — CID 82897981

IUPAC3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCn1ccccc1=O)CC(C)/C(N)=N/O
InChIInChI=1S/C13H22N4O2/c1-3-16(10-11(2)13(14)15-19)8-9-17-7-5-4-6-12(17)18/h4-7,11,19H,3,8-10H2,1-2H3,(H2,14,15)
InChIKeyZZRRQGWTKMAKAF-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.55
Rot. Bonds7

About 3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 82897981) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID82897981
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCn1ccccc1=O)CC(C)/C(N)=N/O
InChIInChI=1S/C13H22N4O2/c1-3-16(10-11(2)13(14)15-19)8-9-17-7-5-4-6-12(17)18/h4-7,11,19H,3,8-10H2,1-2H3,(H2,14,15)
InChIKeyZZRRQGWTKMAKAF-UHFFFAOYSA-N
XLogP0.55
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.55
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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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide (CID 82897981) is 3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CCn1ccccc1=O)CC(C)/C(N)=N/O.
What is the InChIKey of 3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is ZZRRQGWTKMAKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-16(10-11(2)13(14)15-19)8-9-17-7-5-4-6-12(17)18/h4-7,11,19H,3,8-10H2,1-2H3,(H2,14,15).
What are the key properties of 3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 266.34 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 82897981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).