N'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide

C17H20FIN4O2 — CID 111091805

IUPACN'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(Oc2cccc(F)c2)nc1)N1CCOCC1
InChIInChI=1S/C17H19FN4O2.HI/c18-14-2-1-3-15(10-14)24-16-5-4-13(11-20-16)12-21-17(19)22-6-8-23-9-7-22;/h1-5,10-11H,6-9,12H2,(H2,19,21);1H
InChIKeyDCJDDNKMBDDROR-UHFFFAOYSA-N
MW458.28 g/mol
LogP2.78
Rot. Bonds4

About N'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide

N'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111091805) has the molecular formula C17H20FIN4O2 and a molecular weight of 458.28 g/mol. Its IUPAC name is N'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111091805
Molecular FormulaC17H20FIN4O2
Molecular Weight458.28 g/mol
Exact Mass458.06
IUPAC NameN'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(Oc2cccc(F)c2)nc1)N1CCOCC1
InChIInChI=1S/C17H19FN4O2.HI/c18-14-2-1-3-15(10-14)24-16-5-4-13(11-20-16)12-21-17(19)22-6-8-23-9-7-22;/h1-5,10-11H,6-9,12H2,(H2,19,21);1H
InChIKeyDCJDDNKMBDDROR-UHFFFAOYSA-N
XLogP2.78
TPSA72.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
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

1-cyclopropyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylguanidine;hydroiodide
CID 110030789
1-ethyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylpropyl)guanidine
CID 111021393
1-ethyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111314174
1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111091803
1-butan-2-yl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
CID 110920748
1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
CID 111091804
1-ethyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111657636
2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111091866
4-(4-fluorophenyl)-N'-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119117915
2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111091794
2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111091876
N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide
CID 111820472

Frequently Asked Questions

What is the IUPAC name of N'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide (CID 111091805) is N'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\Cc1ccc(Oc2cccc(F)c2)nc1)N1CCOCC1.
What is the InChIKey of N'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is DCJDDNKMBDDROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2.HI/c18-14-2-1-3-15(10-14)24-16-5-4-13(11-20-16)12-21-17(19)22-6-8-23-9-7-22;/h1-5,10-11H,6-9,12H2,(H2,19,21);1H.
What are the key properties of N'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 458.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111091805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).