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

C20H13ClN4O — CID 1034643

IUPAC2-amino-1-(4-chlorophenyl)-4-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)n(-c3ccc(Cl)cc3)c(=O)c2C#N)cc1
InChIInChI=1S/C20H13ClN4O/c1-12-2-4-13(5-3-12)18-16(10-22)19(24)25(20(26)17(18)11-23)15-8-6-14(21)7-9-15/h2-9H,24H2,1H3
InChIKeyFSSSNHYWTOOXIH-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.79
Rot. Bonds2

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

2-amino-1-(4-chlorophenyl)-4-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile (PubChem CID 1034643) has the molecular formula C20H13ClN4O and a molecular weight of 360.80 g/mol. Its IUPAC name is 2-amino-1-(4-chlorophenyl)-4-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-chlorophenyl)-4-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
PubChem CID1034643
Molecular FormulaC20H13ClN4O
Molecular Weight360.80 g/mol
Exact Mass360.08
IUPAC Name2-amino-1-(4-chlorophenyl)-4-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)n(-c3ccc(Cl)cc3)c(=O)c2C#N)cc1
InChIInChI=1S/C20H13ClN4O/c1-12-2-4-13(5-3-12)18-16(10-22)19(24)25(20(26)17(18)11-23)15-8-6-14(21)7-9-15/h2-9H,24H2,1H3
InChIKeyFSSSNHYWTOOXIH-UHFFFAOYSA-N
XLogP3.79
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(4-chlorophenyl)-4-(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

Related Compounds

2-Amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
CID 824820
6-Amino-4-(4-methylphenyl)-2-oxo-1-phenyl-1,2-dihydro-3,5-pyridinedicarbonitrile
CID 824819
2-Amino-4-(4-chlorophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
CID 1034641
(E)-N-(3-chlorophenyl)-3-(4-cyanophenyl)prop-2-enamide
CID 24397125
6-Amino-1,4-bis(4-methylphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile
CID 824821
2-Amino-1-(2-methylphenyl)-4-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
CID 44629412
2-(4-Chloroanilino)-4-hydroxy-6-phenylpyrimidine-5-carbonitrile
CID 135533451
2(1H)-Pyridinone, 1-(4-chlorophenyl)-6-((2-(diethylamino)ethyl)amino)-4-phenyl-
CID 3049068
2-Amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 4245186
Cambridge id 5169166
CID 1380777
6-Amino-1-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile
CID 12826069
2-Amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
CID 162537916

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chlorophenyl)-4-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-1-(4-chlorophenyl)-4-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile (CID 1034643) is 2-amino-1-(4-chlorophenyl)-4-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-1-(4-chlorophenyl)-4-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-1-(4-chlorophenyl)-4-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile is Cc1ccc(-c2c(C#N)c(N)n(-c3ccc(Cl)cc3)c(=O)c2C#N)cc1.
What is the InChIKey of 2-amino-1-(4-chlorophenyl)-4-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The InChIKey is FSSSNHYWTOOXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O/c1-12-2-4-13(5-3-12)18-16(10-22)19(24)25(20(26)17(18)11-23)15-8-6-14(21)7-9-15/h2-9H,24H2,1H3.
What are the key properties of 2-amino-1-(4-chlorophenyl)-4-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
2-amino-1-(4-chlorophenyl)-4-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile has a molecular weight of 360.80 g/mol, XLogP of 3.79, 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-chlorophenyl)-4-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile is sourced from PubChem (CID 1034643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).