1-cyano-2-(2-phenylethyl)-3-pyridin-3-ylguanidine

C15H15N5 — CID 3042805

IUPAC1-cyano-2-(2-phenylethyl)-3-pyridin-3-ylguanidine
SMILESN#CN/C(=N\CCc1ccccc1)Nc1cccnc1
InChIInChI=1S/C15H15N5/c16-12-19-15(20-14-7-4-9-17-11-14)18-10-8-13-5-2-1-3-6-13/h1-7,9,11H,8,10H2,(H2,18,19,20)
InChIKeyIIKZPEBRTNYSJD-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.16
Rot. Bonds4

About 1-cyano-2-(2-phenylethyl)-3-pyridin-3-ylguanidine

1-cyano-2-(2-phenylethyl)-3-pyridin-3-ylguanidine (PubChem CID 3042805) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-cyano-2-(2-phenylethyl)-3-pyridin-3-ylguanidine.

Molecular Properties

Compound Name1-cyano-2-(2-phenylethyl)-3-pyridin-3-ylguanidine
PubChem CID3042805
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name1-cyano-2-(2-phenylethyl)-3-pyridin-3-ylguanidine
SMILESN#CN/C(=N\CCc1ccccc1)Nc1cccnc1
InChIInChI=1S/C15H15N5/c16-12-19-15(20-14-7-4-9-17-11-14)18-10-8-13-5-2-1-3-6-13/h1-7,9,11H,8,10H2,(H2,18,19,20)
InChIKeyIIKZPEBRTNYSJD-UHFFFAOYSA-N
XLogP2.16
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(2-phenylethyl)-3-pyridin-3-ylguanidine?
The IUPAC name of 1-cyano-2-(2-phenylethyl)-3-pyridin-3-ylguanidine (CID 3042805) is 1-cyano-2-(2-phenylethyl)-3-pyridin-3-ylguanidine.
What is the SMILES notation for 1-cyano-2-(2-phenylethyl)-3-pyridin-3-ylguanidine?
The canonical SMILES for 1-cyano-2-(2-phenylethyl)-3-pyridin-3-ylguanidine is N#CN/C(=N\CCc1ccccc1)Nc1cccnc1.
What is the InChIKey of 1-cyano-2-(2-phenylethyl)-3-pyridin-3-ylguanidine?
The InChIKey is IIKZPEBRTNYSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c16-12-19-15(20-14-7-4-9-17-11-14)18-10-8-13-5-2-1-3-6-13/h1-7,9,11H,8,10H2,(H2,18,19,20).
What are the key properties of 1-cyano-2-(2-phenylethyl)-3-pyridin-3-ylguanidine?
1-cyano-2-(2-phenylethyl)-3-pyridin-3-ylguanidine has a molecular weight of 265.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(2-phenylethyl)-3-pyridin-3-ylguanidine is sourced from PubChem (CID 3042805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).