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

C20H15Cl2N3O2 — CID 3557233

IUPAC2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(-c2cc(-c3c(Cl)cccc3Cl)c(C#N)c(N)n2)c1
InChIInChI=1S/C20H15Cl2N3O2/c1-26-11-6-7-18(27-2)13(8-11)17-9-12(14(10-23)20(24)25-17)19-15(21)4-3-5-16(19)22/h3-9H,1-2H3,(H2,24,25)
InChIKeyYSRXIUJQSGPHAN-UHFFFAOYSA-N
MW400.27 g/mol
LogP5.19
Rot. Bonds4

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

2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 3557233) has the molecular formula C20H15Cl2N3O2 and a molecular weight of 400.27 g/mol. Its IUPAC name is 2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID3557233
Molecular FormulaC20H15Cl2N3O2
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(-c2cc(-c3c(Cl)cccc3Cl)c(C#N)c(N)n2)c1
InChIInChI=1S/C20H15Cl2N3O2/c1-26-11-6-7-18(27-2)13(8-11)17-9-12(14(10-23)20(24)25-17)19-15(21)4-3-5-16(19)22/h3-9H,1-2H3,(H2,24,25)
InChIKeyYSRXIUJQSGPHAN-UHFFFAOYSA-N
XLogP5.19
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.27
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile 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-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile
CID 3548331
2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
CID 135496405
2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3554219
2-amino-4-(2-chlorophenyl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 4636440
2-amino-6-(4-methoxyphenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3375509
2-amino-4-(2,5-dimethoxyphenyl)-6-(4-propylphenyl)pyridine-3-carbonitrile
CID 5088045
2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5119568
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
2-amino-4-(2,5-dimethoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 5156796
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
2-amino-4-(furan-2-yl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 5153770
2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 166594866

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile (CID 3557233) is 2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile is COc1ccc(OC)c(-c2cc(-c3c(Cl)cccc3Cl)c(C#N)c(N)n2)c1.
What is the InChIKey of 2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is YSRXIUJQSGPHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2/c1-26-11-6-7-18(27-2)13(8-11)17-9-12(14(10-23)20(24)25-17)19-15(21)4-3-5-16(19)22/h3-9H,1-2H3,(H2,24,25).
What are the key properties of 2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 400.27 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3557233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).