N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide

C9H14N4O — CID 43186264

IUPACN'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide
SMILESCN(CC/C(N)=N/O)c1ccncc1
InChIInChI=1S/C9H14N4O/c1-13(7-4-9(10)12-14)8-2-5-11-6-3-8/h2-3,5-6,14H,4,7H2,1H3,(H2,10,12)
InChIKeyJCNTZLPUPLLKKP-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.65
Rot. Bonds4

About N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide

N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide (PubChem CID 43186264) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide
PubChem CID43186264
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide
SMILESCN(CC/C(N)=N/O)c1ccncc1
InChIInChI=1S/C9H14N4O/c1-13(7-4-9(10)12-14)8-2-5-11-6-3-8/h2-3,5-6,14H,4,7H2,1H3,(H2,10,12)
InChIKeyJCNTZLPUPLLKKP-UHFFFAOYSA-N
XLogP0.65
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.65
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide (CID 43186264) is N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide is CN(CC/C(N)=N/O)c1ccncc1.
What is the InChIKey of N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide?
The InChIKey is JCNTZLPUPLLKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13(7-4-9(10)12-14)8-2-5-11-6-3-8/h2-3,5-6,14H,4,7H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide?
N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide has a molecular weight of 194.24 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide is sourced from PubChem (CID 43186264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).