2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile

C20H10ClF3N4O — CID 162537920

IUPAC2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)c(C#N)c(=O)n(-c2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C20H10ClF3N4O/c21-13-5-1-3-11(7-13)17-15(9-25)18(27)28(19(29)16(17)10-26)14-6-2-4-12(8-14)20(22,23)24/h1-8H,27H2
InChIKeyQKHHEFGXCAACGQ-UHFFFAOYSA-N
MW414.77 g/mol
LogP4.50
Rot. Bonds2

About 2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile

2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile (PubChem CID 162537920) has the molecular formula C20H10ClF3N4O and a molecular weight of 414.77 g/mol. Its IUPAC name is 2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
PubChem CID162537920
Molecular FormulaC20H10ClF3N4O
Molecular Weight414.77 g/mol
Exact Mass414.05
IUPAC Name2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)c(C#N)c(=O)n(-c2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C20H10ClF3N4O/c21-13-5-1-3-11(7-13)17-15(9-25)18(27)28(19(29)16(17)10-26)14-6-2-4-12(8-14)20(22,23)24/h1-8H,27H2
InChIKeyQKHHEFGXCAACGQ-UHFFFAOYSA-N
XLogP4.50
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.77
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-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-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile (CID 162537920) is 2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile is N#Cc1c(-c2cccc(Cl)c2)c(C#N)c(=O)n(-c2cccc(C(F)(F)F)c2)c1N.
What is the InChIKey of 2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The InChIKey is QKHHEFGXCAACGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClF3N4O/c21-13-5-1-3-11(7-13)17-15(9-25)18(27)28(19(29)16(17)10-26)14-6-2-4-12(8-14)20(22,23)24/h1-8H,27H2.
What are the key properties of 2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile has a molecular weight of 414.77 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 162537920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).