2-amino-4-(2,4-dichlorophenyl)-6-phenylpyridine-3-carbonitrile;2-[(2,4-dichlorophenyl)methylidene]propanedinitrile

C28H15Cl4N5 — CID 161083745

IUPAC2-amino-4-(2,4-dichlorophenyl)-6-phenylpyridine-3-carbonitrile;2-[(2,4-dichlorophenyl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc(Cl)cc1Cl.N#Cc1c(-c2ccc(Cl)cc2Cl)cc(-c2ccccc2)nc1N
InChIInChI=1S/C18H11Cl2N3.C10H4Cl2N2/c19-12-6-7-13(16(20)8-12)14-9-17(11-4-2-1-3-5-11)23-18(22)15(14)10-21;11-9-2-1-8(10(12)4-9)3-7(5-13)6-14/h1-9H,(H2,22,23);1-4H
InChIKeyUGFVVTVGYYIDSF-UHFFFAOYSA-N
MW563.28 g/mol
LogP8.60
Rot. Bonds3

About 2-amino-4-(2,4-dichlorophenyl)-6-phenylpyridine-3-carbonitrile;2-[(2,4-dichlorophenyl)methylidene]propanedinitrile

2-amino-4-(2,4-dichlorophenyl)-6-phenylpyridine-3-carbonitrile;2-[(2,4-dichlorophenyl)methylidene]propanedinitrile (PubChem CID 161083745) has the molecular formula C28H15Cl4N5 and a molecular weight of 563.28 g/mol. Its IUPAC name is 2-amino-4-(2,4-dichlorophenyl)-6-phenylpyridine-3-carbonitrile;2-[(2,4-dichlorophenyl)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-amino-4-(2,4-dichlorophenyl)-6-phenylpyridine-3-carbonitrile;2-[(2,4-dichlorophenyl)methylidene]propanedinitrile
PubChem CID161083745
Molecular FormulaC28H15Cl4N5
Molecular Weight563.28 g/mol
Exact Mass561.01
IUPAC Name2-amino-4-(2,4-dichlorophenyl)-6-phenylpyridine-3-carbonitrile;2-[(2,4-dichlorophenyl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc(Cl)cc1Cl.N#Cc1c(-c2ccc(Cl)cc2Cl)cc(-c2ccccc2)nc1N
InChIInChI=1S/C18H11Cl2N3.C10H4Cl2N2/c19-12-6-7-13(16(20)8-12)14-9-17(11-4-2-1-3-5-11)23-18(22)15(14)10-21;11-9-2-1-8(10(12)4-9)3-7(5-13)6-14/h1-9H,(H2,22,23);1-4H
InChIKeyUGFVVTVGYYIDSF-UHFFFAOYSA-N
XLogP8.60
TPSA110.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.28
LogP ≤ 58.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659437
2-amino-4-(2,4-dichlorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 4636737
2-amino-4-(2,4-dichlorophenyl)-6-(2,5-dichlorophenyl)pyridine-3-carbonitrile
CID 3543957
2-amino-4-(2,4-dichlorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230671
2-amino-6-(2,4-dichlorophenyl)-4-(2-methylphenyl)pyridine-3-carbonitrile
CID 3389205
2-amino-4-[3-(4-chlorophenyl)phenyl]-6-phenylpyridine-3-carbonitrile
CID 139222472
4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile
CID 15528298
2-amino-4-(2,3-dichlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
CID 3391786
2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636492
2-amino-6-(4-chlorophenyl)-4-(2,4-difluorophenyl)pyridine-3-carbonitrile
CID 3379854
2-amino-4-(3-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3825642
3-amino-5-[1-cyano-2-(2,4-dichlorophenyl)ethenyl]-1H-pyrazole-4-carbonitrile
CID 78595972

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-6-phenylpyridine-3-carbonitrile;2-[(2,4-dichlorophenyl)methylidene]propanedinitrile?
The IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-6-phenylpyridine-3-carbonitrile;2-[(2,4-dichlorophenyl)methylidene]propanedinitrile (CID 161083745) is 2-amino-4-(2,4-dichlorophenyl)-6-phenylpyridine-3-carbonitrile;2-[(2,4-dichlorophenyl)methylidene]propanedinitrile.
What is the SMILES notation for 2-amino-4-(2,4-dichlorophenyl)-6-phenylpyridine-3-carbonitrile;2-[(2,4-dichlorophenyl)methylidene]propanedinitrile?
The canonical SMILES for 2-amino-4-(2,4-dichlorophenyl)-6-phenylpyridine-3-carbonitrile;2-[(2,4-dichlorophenyl)methylidene]propanedinitrile is N#CC(C#N)=Cc1ccc(Cl)cc1Cl.N#Cc1c(-c2ccc(Cl)cc2Cl)cc(-c2ccccc2)nc1N.
What is the InChIKey of 2-amino-4-(2,4-dichlorophenyl)-6-phenylpyridine-3-carbonitrile;2-[(2,4-dichlorophenyl)methylidene]propanedinitrile?
The InChIKey is UGFVVTVGYYIDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3.C10H4Cl2N2/c19-12-6-7-13(16(20)8-12)14-9-17(11-4-2-1-3-5-11)23-18(22)15(14)10-21;11-9-2-1-8(10(12)4-9)3-7(5-13)6-14/h1-9H,(H2,22,23);1-4H.
What are the key properties of 2-amino-4-(2,4-dichlorophenyl)-6-phenylpyridine-3-carbonitrile;2-[(2,4-dichlorophenyl)methylidene]propanedinitrile?
2-amino-4-(2,4-dichlorophenyl)-6-phenylpyridine-3-carbonitrile;2-[(2,4-dichlorophenyl)methylidene]propanedinitrile has a molecular weight of 563.28 g/mol, XLogP of 8.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dichlorophenyl)-6-phenylpyridine-3-carbonitrile;2-[(2,4-dichlorophenyl)methylidene]propanedinitrile is sourced from PubChem (CID 161083745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).