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

C20H15N5O — CID 135851748

IUPAC4-anilino-5-[(E)-[(Z)-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-KIAPAELCSA-N
MW341.37 g/mol
LogP3.44
Rot. Bonds5

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

4-anilino-5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 135851748) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-anilino-5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-anilino-5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID135851748
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name4-anilino-5-[(E)-[(Z)-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-KIAPAELCSA-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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Related Compounds

4-anilino-5-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 135400596
4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 135781819
4-anilino-5-[(Z)-(cyclohexylidenehydrazinylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 135850828
4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 1380777
4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518521
N-phenyl-4-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]aniline
CID 154979781
2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile
CID 136694231
3-oxo-2H-isoquinoline-4-carbonitrile
CID 89302996
4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
CID 135407267
6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
CID 12749108
5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
CID 135603822
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955

Frequently Asked Questions

What is the IUPAC name of 4-anilino-5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-anilino-5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 135851748) is 4-anilino-5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-anilino-5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-anilino-5-[(E)-[(Z)-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)-[(Z)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is IQINVWKZELEQSD-KIAPAELCSA-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)-[(Z)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile?
4-anilino-5-[(E)-[(Z)-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)-[(Z)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 135851748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).