N'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide

C15H21IN6O — CID 111807439

IUPACN'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCc1noc(-c2ccccn2)n1)N1CCCCC1
InChIInChI=1S/C15H20N6O.HI/c16-15(21-10-4-1-5-11-21)18-9-7-13-19-14(22-20-13)12-6-2-3-8-17-12;/h2-3,6,8H,1,4-5,7,9-11H2,(H2,16,18);1H
InChIKeyCNWKJZRHMYCKIB-UHFFFAOYSA-N
MW428.28 g/mol
LogP2.09
Rot. Bonds4

About N'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide

N'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111807439) has the molecular formula C15H21IN6O and a molecular weight of 428.28 g/mol. Its IUPAC name is N'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111807439
Molecular FormulaC15H21IN6O
Molecular Weight428.28 g/mol
Exact Mass428.08
IUPAC NameN'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCc1noc(-c2ccccn2)n1)N1CCCCC1
InChIInChI=1S/C15H20N6O.HI/c16-15(21-10-4-1-5-11-21)18-9-7-13-19-14(22-20-13)12-6-2-3-8-17-12;/h2-3,6,8H,1,4-5,7,9-11H2,(H2,16,18);1H
InChIKeyCNWKJZRHMYCKIB-UHFFFAOYSA-N
XLogP2.09
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111807439) is N'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CCc1noc(-c2ccccn2)n1)N1CCCCC1.
What is the InChIKey of N'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is CNWKJZRHMYCKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O.HI/c16-15(21-10-4-1-5-11-21)18-9-7-13-19-14(22-20-13)12-6-2-3-8-17-12;/h2-3,6,8H,1,4-5,7,9-11H2,(H2,16,18);1H.
What are the key properties of N'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
N'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 428.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111807439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).