1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide

C19H19IN4O — CID 111597441

IUPAC1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccccn1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H18N4O.HI/c20-19(22-14-16-7-4-5-12-21-16)23-15-8-6-11-18(13-15)24-17-9-2-1-3-10-17;/h1-13H,14H2,(H3,20,22,23);1H
InChIKeyVTNSHLVEXGYHDL-UHFFFAOYSA-N
MW446.29 g/mol
LogP4.42
Rot. Bonds5

About 1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide

1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 111597441) has the molecular formula C19H19IN4O and a molecular weight of 446.29 g/mol. Its IUPAC name is 1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
PubChem CID111597441
Molecular FormulaC19H19IN4O
Molecular Weight446.29 g/mol
Exact Mass446.06
IUPAC Name1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccccn1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H18N4O.HI/c20-19(22-14-16-7-4-5-12-21-16)23-15-8-6-11-18(13-15)24-17-9-2-1-3-10-17;/h1-13H,14H2,(H3,20,22,23);1H
InChIKeyVTNSHLVEXGYHDL-UHFFFAOYSA-N
XLogP4.42
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.29
LogP ≤ 54.42
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

1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 109394682
2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111802407
1-(3-phenoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111597443
1-(3-phenoxyphenyl)-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111600133
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597475
1-(3-phenoxyphenyl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111598509
2-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801782
1-(3-phenoxyphenyl)-2-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111600134
1-(3-ethylphenyl)-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111047987
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide (CID 111597441) is 1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide is I.N/C(=N\Cc1ccccn1)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is VTNSHLVEXGYHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O.HI/c20-19(22-14-16-7-4-5-12-21-16)23-15-8-6-11-18(13-15)24-17-9-2-1-3-10-17;/h1-13H,14H2,(H3,20,22,23);1H.
What are the key properties of 1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 446.29 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111597441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).