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

C13H14N4 — CID 62072214

IUPAC1-phenyl-2-(pyridin-2-ylmethyl)guanidine
SMILESN/C(=N\Cc1ccccn1)Nc1ccccc1
InChIInChI=1S/C13H14N4/c14-13(17-11-6-2-1-3-7-11)16-10-12-8-4-5-9-15-12/h1-9H,10H2,(H3,14,16,17)
InChIKeyUAPWPAVPGOPWNW-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.01
Rot. Bonds3

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

1-phenyl-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 62072214) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-phenyl-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-phenyl-2-(pyridin-2-ylmethyl)guanidine
PubChem CID62072214
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name1-phenyl-2-(pyridin-2-ylmethyl)guanidine
SMILESN/C(=N\Cc1ccccn1)Nc1ccccc1
InChIInChI=1S/C13H14N4/c14-13(17-11-6-2-1-3-7-11)16-10-12-8-4-5-9-15-12/h1-9H,10H2,(H3,14,16,17)
InChIKeyUAPWPAVPGOPWNW-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-(2-pyridin-2-ylethyl)guanidine
CID 62363835
1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111597441
1-amino-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 86736541
2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine
CID 62848306
2-benzyl-1-phenylguanidine
CID 12910062
1-phenyl-2-(pyridin-4-ylmethyl)guanidine
CID 62364718
1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 140989208
1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
CID 110912451
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine
CID 62362398
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110912092
1-butyl-2-(pyridin-2-ylmethyl)guanidine
CID 111023231
1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine
CID 100575102

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-phenyl-2-(pyridin-2-ylmethyl)guanidine (CID 62072214) is 1-phenyl-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-phenyl-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-phenyl-2-(pyridin-2-ylmethyl)guanidine is N/C(=N\Cc1ccccn1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is UAPWPAVPGOPWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-13(17-11-6-2-1-3-7-11)16-10-12-8-4-5-9-15-12/h1-9H,10H2,(H3,14,16,17).
What are the key properties of 1-phenyl-2-(pyridin-2-ylmethyl)guanidine?
1-phenyl-2-(pyridin-2-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-2-ylmethyl)guanidine is sourced from PubChem (CID 62072214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).