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

C21H13F3N4O — CID 162537916

IUPAC2-amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)n(-c3cccc(C(F)(F)F)c3)c(=O)c2C#N)cc1
InChIInChI=1S/C21H13F3N4O/c1-12-5-7-13(8-6-12)18-16(10-25)19(27)28(20(29)17(18)11-26)15-4-2-3-14(9-15)21(22,23)24/h2-9H,27H2,1H3
InChIKeyYZOZXPSSGZUBHV-UHFFFAOYSA-N
MW394.36 g/mol
LogP4.16
Rot. Bonds2

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

2-amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile (PubChem CID 162537916) has the molecular formula C21H13F3N4O and a molecular weight of 394.36 g/mol. Its IUPAC name is 2-amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
PubChem CID162537916
Molecular FormulaC21H13F3N4O
Molecular Weight394.36 g/mol
Exact Mass394.10
IUPAC Name2-amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)n(-c3cccc(C(F)(F)F)c3)c(=O)c2C#N)cc1
InChIInChI=1S/C21H13F3N4O/c1-12-5-7-13(8-6-12)18-16(10-25)19(27)28(20(29)17(18)11-26)15-4-2-3-14(9-15)21(22,23)24/h2-9H,27H2,1H3
InChIKeyYZOZXPSSGZUBHV-UHFFFAOYSA-N
XLogP4.16
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(4-methylphenyl)-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

Related Compounds

2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
CID 162537920
2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
CID 71835247
2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
CID 139225060
2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile
CID 155810322
4-[3-[1,4-dimethyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-2-pyridinyl]benzonitrile
CID 90197065
6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 91669634
6-methyl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 134118287
5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 22309905
4-[5-[1,4-dimethyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-4-nitropyrazol-1-yl]benzonitrile
CID 90196967
3-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110573499
5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 141151683
4-[4-chloro-5-[1,4-dimethyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]benzonitrile
CID 71514331

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile (CID 162537916) is 2-amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile is Cc1ccc(-c2c(C#N)c(N)n(-c3cccc(C(F)(F)F)c3)c(=O)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The InChIKey is YZOZXPSSGZUBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O/c1-12-5-7-13(8-6-12)18-16(10-25)19(27)28(20(29)17(18)11-26)15-4-2-3-14(9-15)21(22,23)24/h2-9H,27H2,1H3.
What are the key properties of 2-amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
2-amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile has a molecular weight of 394.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 162537916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).