1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile

C20H18N4 — CID 6899047

IUPAC1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile
SMILESN#CC1=CN(Cc2ccccc2)C=C(/C=N/Nc2ccccc2)C1
InChIInChI=1S/C20H18N4/c21-12-18-11-19(13-22-23-20-9-5-2-6-10-20)16-24(15-18)14-17-7-3-1-4-8-17/h1-10,13,15-16,23H,11,14H2/b22-13+
InChIKeyPBIDASPWDOYNKT-LPYMAVHISA-N
MW314.39 g/mol
LogP4.28
Rot. Bonds5

About 1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile

1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile (PubChem CID 6899047) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile
PubChem CID6899047
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile
SMILESN#CC1=CN(Cc2ccccc2)C=C(/C=N/Nc2ccccc2)C1
InChIInChI=1S/C20H18N4/c21-12-18-11-19(13-22-23-20-9-5-2-6-10-20)16-24(15-18)14-17-7-3-1-4-8-17/h1-10,13,15-16,23H,11,14H2/b22-13+
InChIKeyPBIDASPWDOYNKT-LPYMAVHISA-N
XLogP4.28
TPSA51.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile?
The IUPAC name of 1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile (CID 6899047) is 1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile?
The canonical SMILES for 1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile is N#CC1=CN(Cc2ccccc2)C=C(/C=N/Nc2ccccc2)C1.
What is the InChIKey of 1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile?
The InChIKey is PBIDASPWDOYNKT-LPYMAVHISA-N. The full InChI is InChI=1S/C20H18N4/c21-12-18-11-19(13-22-23-20-9-5-2-6-10-20)16-24(15-18)14-17-7-3-1-4-8-17/h1-10,13,15-16,23H,11,14H2/b22-13+.
What are the key properties of 1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile?
1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile has a molecular weight of 314.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(E)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile is sourced from PubChem (CID 6899047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).