2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile

C24H15Cl2N3 — CID 4659437

IUPAC2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2Cl)cc(-c2ccc(-c3ccccc3)cc2)nc1N
InChIInChI=1S/C24H15Cl2N3/c25-18-10-11-19(22(26)12-18)20-13-23(29-24(28)21(20)14-27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,(H2,28,29)
InChIKeyKNZLIYADFQPSEI-UHFFFAOYSA-N
MW416.31 g/mol
LogP6.84
Rot. Bonds3

About 2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile

2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile (PubChem CID 4659437) has the molecular formula C24H15Cl2N3 and a molecular weight of 416.31 g/mol. Its IUPAC name is 2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
PubChem CID4659437
Molecular FormulaC24H15Cl2N3
Molecular Weight416.31 g/mol
Exact Mass415.06
IUPAC Name2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2Cl)cc(-c2ccc(-c3ccccc3)cc2)nc1N
InChIInChI=1S/C24H15Cl2N3/c25-18-10-11-19(22(26)12-18)20-13-23(29-24(28)21(20)14-27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,(H2,28,29)
InChIKeyKNZLIYADFQPSEI-UHFFFAOYSA-N
XLogP6.84
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.31
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile (CID 4659437) is 2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2Cl)cc(-c2ccc(-c3ccccc3)cc2)nc1N.
What is the InChIKey of 2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile?
The InChIKey is KNZLIYADFQPSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2N3/c25-18-10-11-19(22(26)12-18)20-13-23(29-24(28)21(20)14-27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,(H2,28,29).
What are the key properties of 2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile?
2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile has a molecular weight of 416.31 g/mol, XLogP of 6.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 4659437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).