2-(3-bromo-5-methylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile

C20H16BrN3 — CID 164912213

IUPAC2-(3-bromo-5-methylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile
SMILESCc1cc(Br)cc(Nc2nc(C)c(-c3ccccc3)cc2C#N)c1
InChIInChI=1S/C20H16BrN3/c1-13-8-17(21)11-18(9-13)24-20-16(12-22)10-19(14(2)23-20)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,23,24)
InChIKeyYIIRNKIIMTUMAK-UHFFFAOYSA-N
MW378.27 g/mol
LogP5.74
Rot. Bonds3

About 2-(3-bromo-5-methylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile

2-(3-bromo-5-methylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile (PubChem CID 164912213) has the molecular formula C20H16BrN3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-(3-bromo-5-methylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-bromo-5-methylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile
PubChem CID164912213
Molecular FormulaC20H16BrN3
Molecular Weight378.27 g/mol
Exact Mass377.05
IUPAC Name2-(3-bromo-5-methylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile
SMILESCc1cc(Br)cc(Nc2nc(C)c(-c3ccccc3)cc2C#N)c1
InChIInChI=1S/C20H16BrN3/c1-13-8-17(21)11-18(9-13)24-20-16(12-22)10-19(14(2)23-20)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,23,24)
InChIKeyYIIRNKIIMTUMAK-UHFFFAOYSA-N
XLogP5.74
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.27
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromo-5-methylanilino)-6-methyl-5-phenylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-bromo-5-methylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile (CID 164912213) is 2-(3-bromo-5-methylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-bromo-5-methylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-bromo-5-methylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile is Cc1cc(Br)cc(Nc2nc(C)c(-c3ccccc3)cc2C#N)c1.
What is the InChIKey of 2-(3-bromo-5-methylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile?
The InChIKey is YIIRNKIIMTUMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3/c1-13-8-17(21)11-18(9-13)24-20-16(12-22)10-19(14(2)23-20)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,23,24).
What are the key properties of 2-(3-bromo-5-methylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile?
2-(3-bromo-5-methylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile has a molecular weight of 378.27 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 164912213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).