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

C13H14N4 — CID 62364718

IUPAC1-phenyl-2-(pyridin-4-ylmethyl)guanidine
SMILESN/C(=N\Cc1ccncc1)Nc1ccccc1
InChIInChI=1S/C13H14N4/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)
InChIKeyOZMSDYZNISZQLD-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.01
Rot. Bonds3

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

1-phenyl-2-(pyridin-4-ylmethyl)guanidine (PubChem CID 62364718) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-phenyl-2-(pyridin-4-ylmethyl)guanidine.

Molecular Properties

Compound Name1-phenyl-2-(pyridin-4-ylmethyl)guanidine
PubChem CID62364718
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name1-phenyl-2-(pyridin-4-ylmethyl)guanidine
SMILESN/C(=N\Cc1ccncc1)Nc1ccccc1
InChIInChI=1S/C13H14N4/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)
InChIKeyOZMSDYZNISZQLD-UHFFFAOYSA-N
XLogP2.01
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.01
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'}

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Related Compounds

1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
CID 110912451
2-benzyl-1-phenylguanidine
CID 12910062
1-amino-2-(pyridin-4-ylmethyl)guanidine
CID 23471425
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide
CID 110914458
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110893205
1-(3-phenoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111597443
2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride
CID 23471478
1-phenyl-2-(2H-tetrazol-5-ylmethyl)guanidine
CID 62369554
1-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea
CID 110915490
2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110893252

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(pyridin-4-ylmethyl)guanidine?
The IUPAC name of 1-phenyl-2-(pyridin-4-ylmethyl)guanidine (CID 62364718) is 1-phenyl-2-(pyridin-4-ylmethyl)guanidine.
What is the SMILES notation for 1-phenyl-2-(pyridin-4-ylmethyl)guanidine?
The canonical SMILES for 1-phenyl-2-(pyridin-4-ylmethyl)guanidine is N/C(=N\Cc1ccncc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-2-(pyridin-4-ylmethyl)guanidine?
The InChIKey is OZMSDYZNISZQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/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).
What are the key properties of 1-phenyl-2-(pyridin-4-ylmethyl)guanidine?
1-phenyl-2-(pyridin-4-ylmethyl)guanidine has a molecular weight of 226.28 g/mol, XLogP of 2.01, 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 is sourced from PubChem (CID 62364718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).