2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide

C18H23FIN5O — CID 119120609

IUPAC2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESI.N/C(=N\CC(c1cccc(F)c1)N1CCOCC1)Nc1ccccn1
InChIInChI=1S/C18H22FN5O.HI/c19-15-5-3-4-14(12-15)16(24-8-10-25-11-9-24)13-22-18(20)23-17-6-1-2-7-21-17;/h1-7,12,16H,8-11,13H2,(H3,20,21,22,23);1H
InChIKeyLCAUKVKRIPRSMQ-UHFFFAOYSA-N
MW471.32 g/mol
LogP2.64
Rot. Bonds5

About 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide

2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide (PubChem CID 119120609) has the molecular formula C18H23FIN5O and a molecular weight of 471.32 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide
PubChem CID119120609
Molecular FormulaC18H23FIN5O
Molecular Weight471.32 g/mol
Exact Mass471.09
IUPAC Name2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESI.N/C(=N\CC(c1cccc(F)c1)N1CCOCC1)Nc1ccccn1
InChIInChI=1S/C18H22FN5O.HI/c19-15-5-3-4-14(12-15)16(24-8-10-25-11-9-24)13-22-18(20)23-17-6-1-2-7-21-17;/h1-7,12,16H,8-11,13H2,(H3,20,21,22,23);1H
InChIKeyLCAUKVKRIPRSMQ-UHFFFAOYSA-N
XLogP2.64
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.32
LogP ≤ 52.64
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine
CID 119120610
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110916922
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide
CID 111085600
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111085609
2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111028097
2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111028105
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
CID 110925404
2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-pyridin-2-ylguanidine
CID 119117303
1-(3-methylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054791
2-(2-morpholin-4-ylethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119117134
2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120558132
1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054829

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide (CID 119120609) is 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide is I.N/C(=N\CC(c1cccc(F)c1)N1CCOCC1)Nc1ccccn1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide?
The InChIKey is LCAUKVKRIPRSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O.HI/c19-15-5-3-4-14(12-15)16(24-8-10-25-11-9-24)13-22-18(20)23-17-6-1-2-7-21-17;/h1-7,12,16H,8-11,13H2,(H3,20,21,22,23);1H.
What are the key properties of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide?
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide has a molecular weight of 471.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide is sourced from PubChem (CID 119120609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).