2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile

C21H18BrN3O2 — CID 3395714

IUPAC2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)cc1OC
InChIInChI=1S/C21H18BrN3O2/c1-3-27-19-9-6-14(10-20(19)26-2)16-11-18(25-21(24)17(16)12-23)13-4-7-15(22)8-5-13/h4-11H,3H2,1-2H3,(H2,24,25)
InChIKeyQRNNZHQMGOMBBS-UHFFFAOYSA-N
MW424.30 g/mol
LogP5.04
Rot. Bonds5

About 2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 3395714) has the molecular formula C21H18BrN3O2 and a molecular weight of 424.30 g/mol. Its IUPAC name is 2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID3395714
Molecular FormulaC21H18BrN3O2
Molecular Weight424.30 g/mol
Exact Mass423.06
IUPAC Name2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)cc1OC
InChIInChI=1S/C21H18BrN3O2/c1-3-27-19-9-6-14(10-20(19)26-2)16-11-18(25-21(24)17(16)12-23)13-4-7-15(22)8-5-13/h4-11H,3H2,1-2H3,(H2,24,25)
InChIKeyQRNNZHQMGOMBBS-UHFFFAOYSA-N
XLogP5.04
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.30
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)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

6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile
CID 170458771
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 5119915
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5241528
2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 856280
2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5259045
2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 8615264
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile
CID 3379851
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-fluorophenyl)pyridine-3-carbonitrile
CID 3360582
2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3395715
2-amino-4-(2-ethoxyphenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3371240
2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 136691533
2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5241532

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile (CID 3395714) is 2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile is CCOc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)cc1OC.
What is the InChIKey of 2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is QRNNZHQMGOMBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O2/c1-3-27-19-9-6-14(10-20(19)26-2)16-11-18(25-21(24)17(16)12-23)13-4-7-15(22)8-5-13/h4-11H,3H2,1-2H3,(H2,24,25).
What are the key properties of 2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 424.30 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3395714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).