2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile

C18H12N4O — CID 146171449

IUPAC2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(/N=N/c2ccccc2)c(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H12N4O/c19-12-14-11-16(22-21-15-9-5-2-6-10-15)17(20-18(14)23)13-7-3-1-4-8-13/h1-11H,(H,20,23)/b22-21+
InChIKeyVDKVOUWYBUYXQZ-QURGRASLSA-N
MW300.32 g/mol
LogP4.33
Rot. Bonds3

About 2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile

2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile (PubChem CID 146171449) has the molecular formula C18H12N4O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
PubChem CID146171449
Molecular FormulaC18H12N4O
Molecular Weight300.32 g/mol
Exact Mass300.10
IUPAC Name2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(/N=N/c2ccccc2)c(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H12N4O/c19-12-14-11-16(22-21-15-9-5-2-6-10-15)17(20-18(14)23)13-7-3-1-4-8-13/h1-11H,(H,20,23)/b22-21+
InChIKeyVDKVOUWYBUYXQZ-QURGRASLSA-N
XLogP4.33
TPSA81.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile (CID 146171449) is 2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile is N#Cc1cc(/N=N/c2ccccc2)c(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile?
The InChIKey is VDKVOUWYBUYXQZ-QURGRASLSA-N. The full InChI is InChI=1S/C18H12N4O/c19-12-14-11-16(22-21-15-9-5-2-6-10-15)17(20-18(14)23)13-7-3-1-4-8-13/h1-11H,(H,20,23)/b22-21+.
What are the key properties of 2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile?
2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile has a molecular weight of 300.32 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 146171449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).