4-anilino-5-[(E)-[(E)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile

C20H15N5O — CID 135517061

IUPAC4-anilino-5-[(E)-[(E)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)c(/C=N/N=C/c2ccccc2)c[nH]c1=O
InChIInChI=1S/C20H15N5O/c21-11-18-19(25-17-9-5-2-6-10-17)16(13-22-20(18)26)14-24-23-12-15-7-3-1-4-8-15/h1-10,12-14H,(H2,22,25,26)/b23-12+,24-14+
InChIKeyIQINVWKZELEQSD-GKZLBNLFSA-N
MW341.37 g/mol
LogP3.44
Rot. Bonds5

About 4-anilino-5-[(E)-[(E)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile

4-anilino-5-[(E)-[(E)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 135517061) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-anilino-5-[(E)-[(E)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-anilino-5-[(E)-[(E)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID135517061
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name4-anilino-5-[(E)-[(E)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)c(/C=N/N=C/c2ccccc2)c[nH]c1=O
InChIInChI=1S/C20H15N5O/c21-11-18-19(25-17-9-5-2-6-10-17)16(13-22-20(18)26)14-24-23-12-15-7-3-1-4-8-15/h1-10,12-14H,(H2,22,25,26)/b23-12+,24-14+
InChIKeyIQINVWKZELEQSD-GKZLBNLFSA-N
XLogP3.44
TPSA93.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-5-[(E)-[(E)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-anilino-5-[(E)-[(E)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 135517061) is 4-anilino-5-[(E)-[(E)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-anilino-5-[(E)-[(E)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-anilino-5-[(E)-[(E)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(Nc2ccccc2)c(/C=N/N=C/c2ccccc2)c[nH]c1=O.
What is the InChIKey of 4-anilino-5-[(E)-[(E)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is IQINVWKZELEQSD-GKZLBNLFSA-N. The full InChI is InChI=1S/C20H15N5O/c21-11-18-19(25-17-9-5-2-6-10-17)16(13-22-20(18)26)14-24-23-12-15-7-3-1-4-8-15/h1-10,12-14H,(H2,22,25,26)/b23-12+,24-14+.
What are the key properties of 4-anilino-5-[(E)-[(E)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile?
4-anilino-5-[(E)-[(E)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 341.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-5-[(E)-[(E)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 135517061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).