N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide

C8H11N3O2 — CID 83875685

IUPACN'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide
SMILESCOc1ccnc(C/C(N)=N/O)c1
InChIInChI=1S/C8H11N3O2/c1-13-7-2-3-10-6(4-7)5-8(9)11-12/h2-4,12H,5H2,1H3,(H2,9,11)
InChIKeyMPGRRNAYQHQBGY-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.38
Rot. Bonds3

About N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide

N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide (PubChem CID 83875685) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide
PubChem CID83875685
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide
SMILESCOc1ccnc(C/C(N)=N/O)c1
InChIInChI=1S/C8H11N3O2/c1-13-7-2-3-10-6(4-7)5-8(9)11-12/h2-4,12H,5H2,1H3,(H2,9,11)
InChIKeyMPGRRNAYQHQBGY-UHFFFAOYSA-N
XLogP0.38
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.38
H-Bond Donors ≤ 52
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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Related Compounds

2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide
CID 83878916
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide
CID 4601584
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride
CID 57368856
2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide
CID 65323662
4-methoxy-2-propylpyridine
CID 11084054
N'-hydroxy-3-[(6-methoxyisoquinolin-1-yl)-methylamino]butanimidamide
CID 106537052
2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide
CID 83879809
4-methoxy-2-(methylsulfonylmethyl)pyridine
CID 130621299
N-[(4-methoxy-2-pyridinyl)methyl]acetamide
CID 121378949
N'-hydroxy-4-methoxy-6-(4-methoxy-2-pyridinyl)pyridine-2-carboximidamide
CID 135455563
4-methoxypyridine-2-carbothioamide
CID 62926631
N'-hydroxy-2-pyrimidin-4-ylethanimidamide
CID 83872565

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide (CID 83875685) is N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide is COc1ccnc(C/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide?
The InChIKey is MPGRRNAYQHQBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-13-7-2-3-10-6(4-7)5-8(9)11-12/h2-4,12H,5H2,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide?
N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide has a molecular weight of 181.19 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide is sourced from PubChem (CID 83875685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).