N'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide

C17H20FIN4O2 — CID 119147247

IUPACN'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1cc(Oc2ccc(F)cc2)ccn1)N1CCOCC1
InChIInChI=1S/C17H19FN4O2.HI/c18-13-1-3-15(4-2-13)24-16-5-6-20-14(11-16)12-21-17(19)22-7-9-23-10-8-22;/h1-6,11H,7-10,12H2,(H2,19,21);1H
InChIKeyNYBVVANKRDFWGV-UHFFFAOYSA-N
MW458.28 g/mol
LogP2.78
Rot. Bonds4

About N'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide

N'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 119147247) has the molecular formula C17H20FIN4O2 and a molecular weight of 458.28 g/mol. Its IUPAC name is N'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID119147247
Molecular FormulaC17H20FIN4O2
Molecular Weight458.28 g/mol
Exact Mass458.06
IUPAC NameN'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1cc(Oc2ccc(F)cc2)ccn1)N1CCOCC1
InChIInChI=1S/C17H19FN4O2.HI/c18-13-1-3-15(4-2-13)24-16-5-6-20-14(11-16)12-21-17(19)22-7-9-23-10-8-22;/h1-6,11H,7-10,12H2,(H2,19,21);1H
InChIKeyNYBVVANKRDFWGV-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

N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119928
4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide
CID 122096482
N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide
CID 111800968
N'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111091805
N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111808539
4-(4-fluorophenyl)-N'-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119117915
N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111049500
2-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111091747
N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111093946
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416
N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide
CID 75467048
N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide
CID 111041191

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide (CID 119147247) is N'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\Cc1cc(Oc2ccc(F)cc2)ccn1)N1CCOCC1.
What is the InChIKey of N'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is NYBVVANKRDFWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2.HI/c18-13-1-3-15(4-2-13)24-16-5-6-20-14(11-16)12-21-17(19)22-7-9-23-10-8-22;/h1-6,11H,7-10,12H2,(H2,19,21);1H.
What are the key properties of N'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[[4-(4-fluorophenoxy)-2-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'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 119147247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).