2-amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile

C20H14N4O — CID 824820

IUPAC2-amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
SMILESCc1ccc(-n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=O)cc1
InChIInChI=1S/C20H14N4O/c1-13-7-9-15(10-8-13)24-19(23)16(11-21)18(17(12-22)20(24)25)14-5-3-2-4-6-14/h2-10H,23H2,1H3
InChIKeyDWDWEGGEKMILES-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.14
Rot. Bonds2

About 2-amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile

2-amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 824820) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID824820
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name2-amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
SMILESCc1ccc(-n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=O)cc1
InChIInChI=1S/C20H14N4O/c1-13-7-9-15(10-8-13)24-19(23)16(11-21)18(17(12-22)20(24)25)14-5-3-2-4-6-14/h2-10H,23H2,1H3
InChIKeyDWDWEGGEKMILES-UHFFFAOYSA-N
XLogP3.14
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile (CID 824820) is 2-amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile is Cc1ccc(-n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=O)cc1.
What is the InChIKey of 2-amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is DWDWEGGEKMILES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c1-13-7-9-15(10-8-13)24-19(23)16(11-21)18(17(12-22)20(24)25)14-5-3-2-4-6-14/h2-10H,23H2,1H3.
What are the key properties of 2-amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 326.36 g/mol, XLogP of 3.14, 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-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 824820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).