2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile

C20H13ClN4O2 — CID 11689362

IUPAC2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile
SMILESCOc1ccc(-n2c(N)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1
InChIInChI=1S/C20H13ClN4O2/c1-27-15-8-6-14(7-9-15)25-19(24)16(10-22)18(17(11-23)20(25)26)12-2-4-13(21)5-3-12/h2-9H,24H2,1H3
InChIKeyIVCWPJGESQTYCW-UHFFFAOYSA-N
MW376.80 g/mol
LogP3.49
Rot. Bonds3

About 2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile

2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile (PubChem CID 11689362) has the molecular formula C20H13ClN4O2 and a molecular weight of 376.80 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile
PubChem CID11689362
Molecular FormulaC20H13ClN4O2
Molecular Weight376.80 g/mol
Exact Mass376.07
IUPAC Name2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile
SMILESCOc1ccc(-n2c(N)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1
InChIInChI=1S/C20H13ClN4O2/c1-27-15-8-6-14(7-9-15)25-19(24)16(10-22)18(17(11-23)20(25)26)12-2-4-13(21)5-3-12/h2-9H,24H2,1H3
InChIKeyIVCWPJGESQTYCW-UHFFFAOYSA-N
XLogP3.49
TPSA104.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-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-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile (CID 11689362) is 2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile is COc1ccc(-n2c(N)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The InChIKey is IVCWPJGESQTYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O2/c1-27-15-8-6-14(7-9-15)25-19(24)16(10-22)18(17(11-23)20(25)26)12-2-4-13(21)5-3-12/h2-9H,24H2,1H3.
What are the key properties of 2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile?
2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile has a molecular weight of 376.80 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11689362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).