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

C21H15ClN4O — CID 54613353

IUPAC2-amino-4-(4-chlorophenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile
SMILESCCc1ccccc1-n1c(N)c(C#N)c(-c2ccc(Cl)cc2)c(C#N)c1=O
InChIInChI=1S/C21H15ClN4O/c1-2-13-5-3-4-6-18(13)26-20(25)16(11-23)19(17(12-24)21(26)27)14-7-9-15(22)10-8-14/h3-10H,2,25H2,1H3
InChIKeyZQTNETQQTQLLDG-UHFFFAOYSA-N
MW374.83 g/mol
LogP4.05
Rot. Bonds3

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

2-amino-4-(4-chlorophenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile (PubChem CID 54613353) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile
PubChem CID54613353
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC Name2-amino-4-(4-chlorophenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile
SMILESCCc1ccccc1-n1c(N)c(C#N)c(-c2ccc(Cl)cc2)c(C#N)c1=O
InChIInChI=1S/C21H15ClN4O/c1-2-13-5-3-4-6-18(13)26-20(25)16(11-23)19(17(12-24)21(26)27)14-7-9-15(22)10-8-14/h3-10H,2,25H2,1H3
InChIKeyZQTNETQQTQLLDG-UHFFFAOYSA-N
XLogP4.05
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chlorophenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-chlorophenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile (CID 54613353) is 2-amino-4-(4-chlorophenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile is CCc1ccccc1-n1c(N)c(C#N)c(-c2ccc(Cl)cc2)c(C#N)c1=O.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The InChIKey is ZQTNETQQTQLLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O/c1-2-13-5-3-4-6-18(13)26-20(25)16(11-23)19(17(12-24)21(26)27)14-7-9-15(22)10-8-14/h3-10H,2,25H2,1H3.
What are the key properties of 2-amino-4-(4-chlorophenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
2-amino-4-(4-chlorophenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile has a molecular weight of 374.83 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile is sourced from PubChem (CID 54613353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).