1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide

C21H23IN4O2 — CID 111050435

IUPAC1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/Cc2ccnc(OCc3ccccc3)c2)c1.I
InChIInChI=1S/C21H22N4O2.HI/c1-26-19-9-5-8-18(13-19)25-21(22)24-14-17-10-11-23-20(12-17)27-15-16-6-3-2-4-7-16;/h2-13H,14-15H2,1H3,(H3,22,24,25);1H
InChIKeyXWSJYOJHCWFOIE-UHFFFAOYSA-N
MW490.35 g/mol
LogP4.21
Rot. Bonds7

About 1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide

1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 111050435) has the molecular formula C21H23IN4O2 and a molecular weight of 490.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID111050435
Molecular FormulaC21H23IN4O2
Molecular Weight490.35 g/mol
Exact Mass490.09
IUPAC Name1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/Cc2ccnc(OCc3ccccc3)c2)c1.I
InChIInChI=1S/C21H22N4O2.HI/c1-26-19-9-5-8-18(13-19)25-21(22)24-14-17-10-11-23-20(12-17)27-15-16-6-3-2-4-7-16;/h2-13H,14-15H2,1H3,(H3,22,24,25);1H
InChIKeyXWSJYOJHCWFOIE-UHFFFAOYSA-N
XLogP4.21
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.35
LogP ≤ 54.21
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

1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111075946
2-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111091711
1-(3-methoxyphenyl)-2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053736
1-(3-methoxyphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]guanidine;hydroiodide
CID 111032679
2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111051115
1-(4-ethylphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111050472
2-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111071700
2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111053993
benzyl 3-[[[amino-(3-methoxyanilino)methylidene]amino]methyl]benzoate;hydroiodide
CID 111099727
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
1-(1-methoxypropan-2-yl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111050513
1-(2,5-diethoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111050501

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide (CID 111050435) is 1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide is COc1cccc(N/C(N)=N/Cc2ccnc(OCc3ccccc3)c2)c1.I.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is XWSJYOJHCWFOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2.HI/c1-26-19-9-5-8-18(13-19)25-21(22)24-14-17-10-11-23-20(12-17)27-15-16-6-3-2-4-7-16;/h2-13H,14-15H2,1H3,(H3,22,24,25);1H.
What are the key properties of 1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide?
1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 490.35 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111050435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).