1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide

C13H15IN4 — CID 110912451

IUPAC1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccncc1)Nc1ccccc1
InChIInChI=1S/C13H14N4.HI/c14-13(17-12-4-2-1-3-5-12)16-10-11-6-8-15-9-7-11;/h1-9H,10H2,(H3,14,16,17);1H
InChIKeyCLHBYWCAKZQOFE-UHFFFAOYSA-N
MW354.19 g/mol
LogP2.63
Rot. Bonds3

About 1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide

1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide (PubChem CID 110912451) has the molecular formula C13H15IN4 and a molecular weight of 354.19 g/mol. Its IUPAC name is 1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
PubChem CID110912451
Molecular FormulaC13H15IN4
Molecular Weight354.19 g/mol
Exact Mass354.03
IUPAC Name1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccncc1)Nc1ccccc1
InChIInChI=1S/C13H14N4.HI/c14-13(17-12-4-2-1-3-5-12)16-10-11-6-8-15-9-7-11;/h1-9H,10H2,(H3,14,16,17);1H
InChIKeyCLHBYWCAKZQOFE-UHFFFAOYSA-N
XLogP2.63
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-4-ylmethyl)guanidine
CID 62364718
2-benzyl-1-phenylguanidine
CID 12910062
1-amino-2-(pyridin-4-ylmethyl)guanidine
CID 23471425
2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide
CID 110914458
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
1-(3-phenoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111597443
2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110893252
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 111117542
2-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110924612
2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide
CID 111439321
1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110893205

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide (CID 110912451) is 1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide is I.N/C(=N\Cc1ccncc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide?
The InChIKey is CLHBYWCAKZQOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4.HI/c14-13(17-12-4-2-1-3-5-12)16-10-11-6-8-15-9-7-11;/h1-9H,10H2,(H3,14,16,17);1H.
What are the key properties of 1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide?
1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide has a molecular weight of 354.19 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 110912451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).