(1-benzyl-2-pyridinylidene)cyanamide

C13H11N3 — CID 15650344

IUPAC(1-benzyl-2-pyridinylidene)cyanamide
SMILESN#C/N=c1\ccccn1Cc1ccccc1
InChIInChI=1S/C13H11N3/c14-11-15-13-8-4-5-9-16(13)10-12-6-2-1-3-7-12/h1-9H,10H2/b15-13+
InChIKeyRRYOJSJRGRFJDN-FYWRMAATSA-N
MW209.25 g/mol
LogP1.92
Rot. Bonds2

About (1-benzyl-2-pyridinylidene)cyanamide

(1-benzyl-2-pyridinylidene)cyanamide (PubChem CID 15650344) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (1-benzyl-2-pyridinylidene)cyanamide.

Molecular Properties

Compound Name(1-benzyl-2-pyridinylidene)cyanamide
PubChem CID15650344
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name(1-benzyl-2-pyridinylidene)cyanamide
SMILESN#C/N=c1\ccccn1Cc1ccccc1
InChIInChI=1S/C13H11N3/c14-11-15-13-8-4-5-9-16(13)10-12-6-2-1-3-7-12/h1-9H,10H2/b15-13+
InChIKeyRRYOJSJRGRFJDN-FYWRMAATSA-N
XLogP1.92
TPSA41.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2-pyridinylidene)cyanamide?
The IUPAC name of (1-benzyl-2-pyridinylidene)cyanamide (CID 15650344) is (1-benzyl-2-pyridinylidene)cyanamide.
What is the SMILES notation for (1-benzyl-2-pyridinylidene)cyanamide?
The canonical SMILES for (1-benzyl-2-pyridinylidene)cyanamide is N#C/N=c1\ccccn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-2-pyridinylidene)cyanamide?
The InChIKey is RRYOJSJRGRFJDN-FYWRMAATSA-N. The full InChI is InChI=1S/C13H11N3/c14-11-15-13-8-4-5-9-16(13)10-12-6-2-1-3-7-12/h1-9H,10H2/b15-13+.
What are the key properties of (1-benzyl-2-pyridinylidene)cyanamide?
(1-benzyl-2-pyridinylidene)cyanamide has a molecular weight of 209.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2-pyridinylidene)cyanamide is sourced from PubChem (CID 15650344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).