1-benzyl-4-phenyl-4H-pyridine-3,5-dicarbonitrile

C20H15N3 — CID 155517875

IUPAC1-benzyl-4-phenyl-4H-pyridine-3,5-dicarbonitrile
SMILESN#CC1=CN(Cc2ccccc2)C=C(C#N)C1c1ccccc1
InChIInChI=1S/C20H15N3/c21-11-18-14-23(13-16-7-3-1-4-8-16)15-19(12-22)20(18)17-9-5-2-6-10-17/h1-10,14-15,20H,13H2
InChIKeyJWIPCWPNPDLSPK-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.10
Rot. Bonds3

About 1-benzyl-4-phenyl-4H-pyridine-3,5-dicarbonitrile

1-benzyl-4-phenyl-4H-pyridine-3,5-dicarbonitrile (PubChem CID 155517875) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-benzyl-4-phenyl-4H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name1-benzyl-4-phenyl-4H-pyridine-3,5-dicarbonitrile
PubChem CID155517875
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name1-benzyl-4-phenyl-4H-pyridine-3,5-dicarbonitrile
SMILESN#CC1=CN(Cc2ccccc2)C=C(C#N)C1c1ccccc1
InChIInChI=1S/C20H15N3/c21-11-18-14-23(13-16-7-3-1-4-8-16)15-19(12-22)20(18)17-9-5-2-6-10-17/h1-10,14-15,20H,13H2
InChIKeyJWIPCWPNPDLSPK-UHFFFAOYSA-N
XLogP4.10
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenyl-4H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 1-benzyl-4-phenyl-4H-pyridine-3,5-dicarbonitrile (CID 155517875) is 1-benzyl-4-phenyl-4H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 1-benzyl-4-phenyl-4H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 1-benzyl-4-phenyl-4H-pyridine-3,5-dicarbonitrile is N#CC1=CN(Cc2ccccc2)C=C(C#N)C1c1ccccc1.
What is the InChIKey of 1-benzyl-4-phenyl-4H-pyridine-3,5-dicarbonitrile?
The InChIKey is JWIPCWPNPDLSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c21-11-18-14-23(13-16-7-3-1-4-8-16)15-19(12-22)20(18)17-9-5-2-6-10-17/h1-10,14-15,20H,13H2.
What are the key properties of 1-benzyl-4-phenyl-4H-pyridine-3,5-dicarbonitrile?
1-benzyl-4-phenyl-4H-pyridine-3,5-dicarbonitrile has a molecular weight of 297.36 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenyl-4H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 155517875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).