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

C19H10Cl2N4O — CID 169395599

IUPAC2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H10Cl2N4O/c20-15-6-5-12(7-16(15)21)10-1-3-11(4-2-10)17-13(8-22)18(24)25-19(26)14(17)9-23/h1-7H,(H3,24,25,26)
InChIKeyUXUSIGPSTYLXKX-UHFFFAOYSA-N
MW381.22 g/mol
LogP4.34
Rot. Bonds2

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

2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169395599) has the molecular formula C19H10Cl2N4O and a molecular weight of 381.22 g/mol. Its IUPAC name is 2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169395599
Molecular FormulaC19H10Cl2N4O
Molecular Weight381.22 g/mol
Exact Mass380.02
IUPAC Name2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H10Cl2N4O/c20-15-6-5-12(7-16(15)21)10-1-3-11(4-2-10)17-13(8-22)18(24)25-19(26)14(17)9-23/h1-7H,(H3,24,25,26)
InChIKeyUXUSIGPSTYLXKX-UHFFFAOYSA-N
XLogP4.34
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-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-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393028
2-amino-4-(3,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394089
2-amino-4-[4-(4-methylsulfanylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393917
2-amino-4-(3-chloroisoquinolin-7-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395255
2-amino-4-(3-bromo-5-chloro-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394477
2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395243
2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394270
2-amino-4-[3-(4-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393882
2-amino-4-[4-(2-hydroxyethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394289
2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394090
4-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)phenyl]-2-chlorobenzoic acid
CID 169394294
2-amino-4-[4-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394967

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169395599) is 2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is UXUSIGPSTYLXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2N4O/c20-15-6-5-12(7-16(15)21)10-1-3-11(4-2-10)17-13(8-22)18(24)25-19(26)14(17)9-23/h1-7H,(H3,24,25,26).
What are the key properties of 2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 381.22 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169395599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).