N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide

C8H11N3O — CID 83873294

IUPACN'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide
SMILESCc1ccncc1C/C(N)=N/O
InChIInChI=1S/C8H11N3O/c1-6-2-3-10-5-7(6)4-8(9)11-12/h2-3,5,12H,4H2,1H3,(H2,9,11)
InChIKeyKFHIBDZLRGLFKH-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.68
Rot. Bonds2

About N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide

N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide (PubChem CID 83873294) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide
PubChem CID83873294
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide
SMILESCc1ccncc1C/C(N)=N/O
InChIInChI=1S/C8H11N3O/c1-6-2-3-10-5-7(6)4-8(9)11-12/h2-3,5,12H,4H2,1H3,(H2,9,11)
InChIKeyKFHIBDZLRGLFKH-UHFFFAOYSA-N
XLogP0.68
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide
CID 114957609
2-(4-methyl-3-pyridinyl)ethanimidamide
CID 83676274
N'-hydroxy-2-(2-methylphenyl)ethanimidamide
CID 6001694
N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide
CID 114957607
3,3,3-trifluoro-N'-hydroxy-2-[[(4-methyl-3-pyridinyl)methylamino]methyl]propanimidamide
CID 103370242
N'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide
CID 114956355
2-fluoro-N'-hydroxy-3-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzenecarboximidamide
CID 107117509
3-(2-chloroethyl)-4-methylpyridine
CID 65438533
4-methyl-3-(methylsulfanylmethyl)pyridine
CID 89105159
N'-hydroxy-2-pyrimidin-4-ylethanimidamide
CID 83872565
4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine
CID 139016896
1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine
CID 114958064

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide (CID 83873294) is N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide is Cc1ccncc1C/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide?
The InChIKey is KFHIBDZLRGLFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6-2-3-10-5-7(6)4-8(9)11-12/h2-3,5,12H,4H2,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide?
N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide has a molecular weight of 165.20 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide is sourced from PubChem (CID 83873294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).