2-amino-1,4-bis(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile

C21H16N4O — CID 824821

IUPAC2-amino-1,4-bis(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)n(-c3ccc(C)cc3)c(=O)c2C#N)cc1
InChIInChI=1S/C21H16N4O/c1-13-3-7-15(8-4-13)19-17(11-22)20(24)25(21(26)18(19)12-23)16-9-5-14(2)6-10-16/h3-10H,24H2,1-2H3
InChIKeyYUJRWSCKJBEFLY-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.45
Rot. Bonds2

About 2-amino-1,4-bis(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile

2-amino-1,4-bis(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile (PubChem CID 824821) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-amino-1,4-bis(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-1,4-bis(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
PubChem CID824821
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name2-amino-1,4-bis(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)n(-c3ccc(C)cc3)c(=O)c2C#N)cc1
InChIInChI=1S/C21H16N4O/c1-13-3-7-15(8-4-13)19-17(11-22)20(24)25(21(26)18(19)12-23)16-9-5-14(2)6-10-16/h3-10H,24H2,1-2H3
InChIKeyYUJRWSCKJBEFLY-UHFFFAOYSA-N
XLogP3.45
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1,4-bis(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,4-bis(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-1,4-bis(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile (CID 824821) is 2-amino-1,4-bis(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-1,4-bis(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-1,4-bis(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile is Cc1ccc(-c2c(C#N)c(N)n(-c3ccc(C)cc3)c(=O)c2C#N)cc1.
What is the InChIKey of 2-amino-1,4-bis(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The InChIKey is YUJRWSCKJBEFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-13-3-7-15(8-4-13)19-17(11-22)20(24)25(21(26)18(19)12-23)16-9-5-14(2)6-10-16/h3-10H,24H2,1-2H3.
What are the key properties of 2-amino-1,4-bis(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
2-amino-1,4-bis(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile has a molecular weight of 340.39 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,4-bis(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile is sourced from PubChem (CID 824821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).