N'-hydroxy-2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanimidamide

C10H16N4O2 — CID 82897059

IUPACN'-hydroxy-2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanimidamide
SMILESCN(CCn1ccccc1=O)C/C(N)=N/O
InChIInChI=1S/C10H16N4O2/c1-13(8-9(11)12-16)6-7-14-5-3-2-4-10(14)15/h2-5,16H,6-8H2,1H3,(H2,11,12)
InChIKeyDYCYLAPKCBGENZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.47
Rot. Bonds5

About N'-hydroxy-2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanimidamide

N'-hydroxy-2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanimidamide (PubChem CID 82897059) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanimidamide
PubChem CID82897059
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN'-hydroxy-2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanimidamide
SMILESCN(CCn1ccccc1=O)C/C(N)=N/O
InChIInChI=1S/C10H16N4O2/c1-13(8-9(11)12-16)6-7-14-5-3-2-4-10(14)15/h2-5,16H,6-8H2,1H3,(H2,11,12)
InChIKeyDYCYLAPKCBGENZ-UHFFFAOYSA-N
XLogP-0.47
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.47
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 N'-hydroxy-2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanimidamide (CID 82897059) is N'-hydroxy-2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanimidamide is CN(CCn1ccccc1=O)C/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanimidamide?
The InChIKey is DYCYLAPKCBGENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-13(8-9(11)12-16)6-7-14-5-3-2-4-10(14)15/h2-5,16H,6-8H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanimidamide?
N'-hydroxy-2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanimidamide has a molecular weight of 224.26 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanimidamide is sourced from PubChem (CID 82897059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).