phenyl(pyridin-3-yl)cyanamide

C12H9N3 — CID 141092818

IUPACphenyl(pyridin-3-yl)cyanamide
SMILESN#CN(c1ccccc1)c1cccnc1
InChIInChI=1S/C12H9N3/c13-10-15(11-5-2-1-3-6-11)12-7-4-8-14-9-12/h1-9H
InChIKeyIJCXCESFIFSCCD-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.70
Rot. Bonds2

About phenyl(pyridin-3-yl)cyanamide

phenyl(pyridin-3-yl)cyanamide (PubChem CID 141092818) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is phenyl(pyridin-3-yl)cyanamide.

Molecular Properties

Compound Namephenyl(pyridin-3-yl)cyanamide
PubChem CID141092818
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Namephenyl(pyridin-3-yl)cyanamide
SMILESN#CN(c1ccccc1)c1cccnc1
InChIInChI=1S/C12H9N3/c13-10-15(11-5-2-1-3-6-11)12-7-4-8-14-9-12/h1-9H
InChIKeyIJCXCESFIFSCCD-UHFFFAOYSA-N
XLogP2.70
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl(pyridin-3-yl)cyanamide?
The IUPAC name of phenyl(pyridin-3-yl)cyanamide (CID 141092818) is phenyl(pyridin-3-yl)cyanamide.
What is the SMILES notation for phenyl(pyridin-3-yl)cyanamide?
The canonical SMILES for phenyl(pyridin-3-yl)cyanamide is N#CN(c1ccccc1)c1cccnc1.
What is the InChIKey of phenyl(pyridin-3-yl)cyanamide?
The InChIKey is IJCXCESFIFSCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c13-10-15(11-5-2-1-3-6-11)12-7-4-8-14-9-12/h1-9H.
What are the key properties of phenyl(pyridin-3-yl)cyanamide?
phenyl(pyridin-3-yl)cyanamide has a molecular weight of 195.22 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(pyridin-3-yl)cyanamide is sourced from PubChem (CID 141092818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).