2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide

C17H20FIN4O — CID 120762834

IUPAC2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCOc1ccc(C2CC(/N=C(\N)Nc3ccccn3)C2)cc1F.I
InChIInChI=1S/C17H19FN4O.HI/c1-23-15-6-5-11(10-14(15)18)12-8-13(9-12)21-17(19)22-16-4-2-3-7-20-16;/h2-7,10,12-13H,8-9H2,1H3,(H3,19,20,21,22);1H
InChIKeyZIBDHBZHTGKKSQ-UHFFFAOYSA-N
MW442.28 g/mol
LogP3.52
Rot. Bonds4

About 2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide

2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide (PubChem CID 120762834) has the molecular formula C17H20FIN4O and a molecular weight of 442.28 g/mol. Its IUPAC name is 2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide
PubChem CID120762834
Molecular FormulaC17H20FIN4O
Molecular Weight442.28 g/mol
Exact Mass442.07
IUPAC Name2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCOc1ccc(C2CC(/N=C(\N)Nc3ccccn3)C2)cc1F.I
InChIInChI=1S/C17H19FN4O.HI/c1-23-15-6-5-11(10-14(15)18)12-8-13(9-12)21-17(19)22-16-4-2-3-7-20-16;/h2-7,10,12-13H,8-9H2,1H3,(H3,19,20,21,22);1H
InChIKeyZIBDHBZHTGKKSQ-UHFFFAOYSA-N
XLogP3.52
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.28
LogP ≤ 53.52
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-chloro-4-fluorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120679877
2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine
CID 120679860
1-tert-butyl-2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine;hydroiodide
CID 120762824
2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 120671766
2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 120514493
N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120762832
N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120762833
N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120762820
1-(3-chloro-4-methoxyphenyl)-2-[3-(2-fluorophenyl)cyclobutyl]guanidine
CID 120671586
2-[3-(3-chloro-4-fluorophenyl)cyclobutyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 120679887
2-[3-(3-bromo-4-fluorophenyl)cyclobutyl]-1-(3-methoxyphenyl)guanidine
CID 120666120
2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine
CID 119147015

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide (CID 120762834) is 2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide is COc1ccc(C2CC(/N=C(\N)Nc3ccccn3)C2)cc1F.I.
What is the InChIKey of 2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide?
The InChIKey is ZIBDHBZHTGKKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O.HI/c1-23-15-6-5-11(10-14(15)18)12-8-13(9-12)21-17(19)22-16-4-2-3-7-20-16;/h2-7,10,12-13H,8-9H2,1H3,(H3,19,20,21,22);1H.
What are the key properties of 2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide?
2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide has a molecular weight of 442.28 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide is sourced from PubChem (CID 120762834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).