2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide

C9H14N4O — CID 83878916

IUPAC2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide
SMILESCN(C)c1ccnc(C/C(N)=N/O)c1
InChIInChI=1S/C9H14N4O/c1-13(2)8-3-4-11-7(5-8)6-9(10)12-14/h3-5,14H,6H2,1-2H3,(H2,10,12)
InChIKeyXAYAIASBSGIEPZ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.44
Rot. Bonds3

About 2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide

2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide (PubChem CID 83878916) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide
PubChem CID83878916
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide
SMILESCN(C)c1ccnc(C/C(N)=N/O)c1
InChIInChI=1S/C9H14N4O/c1-13(2)8-3-4-11-7(5-8)6-9(10)12-14/h3-5,14H,6H2,1-2H3,(H2,10,12)
InChIKeyXAYAIASBSGIEPZ-UHFFFAOYSA-N
XLogP0.44
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.44
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'}

Analyze 2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide
CID 83875685
2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride
CID 154776295
N,N-dimethyl-2-propylpyridin-4-amine
CID 154100065
2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine
CID 70895333
2-[6-(dimethylamino)-3-pyridinyl]-N'-hydroxyethanimidamide
CID 83878920
N'-hydroxy-2-pyrimidin-4-ylethanimidamide
CID 83872565
2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide
CID 83879809
N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide
CID 43186264
2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide
CID 130167206
N'-hydroxy-2-(2-propan-2-yloxy-4-pyridinyl)ethanimidamide
CID 83884406
N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695632
2-[4-(diethylamino)-2-pyridinyl]acetic acid
CID 83883816

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide (CID 83878916) is 2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide is CN(C)c1ccnc(C/C(N)=N/O)c1.
What is the InChIKey of 2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide?
The InChIKey is XAYAIASBSGIEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13(2)8-3-4-11-7(5-8)6-9(10)12-14/h3-5,14H,6H2,1-2H3,(H2,10,12).
What are the key properties of 2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide?
2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide has a molecular weight of 194.24 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-2-pyridinyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 83878916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).