2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile

C22H19Cl2N3O3 — CID 3337532

IUPAC2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2c(C)c(-c3ccc(Cl)cc3Cl)nc(N)c2C#N)cc(OC)c1OC
InChIInChI=1S/C22H19Cl2N3O3/c1-11-19(12-7-17(28-2)21(30-4)18(8-12)29-3)15(10-25)22(26)27-20(11)14-6-5-13(23)9-16(14)24/h5-9H,1-4H3,(H2,26,27)
InChIKeyVRQJAXATRJPJMH-UHFFFAOYSA-N
MW444.32 g/mol
LogP5.51
Rot. Bonds5

About 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 3337532) has the molecular formula C22H19Cl2N3O3 and a molecular weight of 444.32 g/mol. Its IUPAC name is 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID3337532
Molecular FormulaC22H19Cl2N3O3
Molecular Weight444.32 g/mol
Exact Mass443.08
IUPAC Name2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2c(C)c(-c3ccc(Cl)cc3Cl)nc(N)c2C#N)cc(OC)c1OC
InChIInChI=1S/C22H19Cl2N3O3/c1-11-19(12-7-17(28-2)21(30-4)18(8-12)29-3)15(10-25)22(26)27-20(11)14-6-5-13(23)9-16(14)24/h5-9H,1-4H3,(H2,26,27)
InChIKeyVRQJAXATRJPJMH-UHFFFAOYSA-N
XLogP5.51
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.32
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3330133
2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3308725
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3333698
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 3337530
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 3339409
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile
CID 3339406
2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
CID 3339403
2-amino-6-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322467
2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
CID 2731102
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
4-(2,4-dichlorophenyl)-2-methoxyaniline
CID 164513719
2-amino-6-(3-chlorophenyl)-4-(3-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322466

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile (CID 3337532) is 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile is COc1cc(-c2c(C)c(-c3ccc(Cl)cc3Cl)nc(N)c2C#N)cc(OC)c1OC.
What is the InChIKey of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is VRQJAXATRJPJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O3/c1-11-19(12-7-17(28-2)21(30-4)18(8-12)29-3)15(10-25)22(26)27-20(11)14-6-5-13(23)9-16(14)24/h5-9H,1-4H3,(H2,26,27).
What are the key properties of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 444.32 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3337532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).