2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile

C20H16BrN3 — CID 5172784

IUPAC2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2nc(N)c(C#N)c(-c3ccc(Br)cc3)c2C)cc1
InChIInChI=1S/C20H16BrN3/c1-12-3-5-15(6-4-12)19-13(2)18(17(11-22)20(23)24-19)14-7-9-16(21)10-8-14/h3-10H,1-2H3,(H2,23,24)
InChIKeyOOVTUYHHXFFLNJ-UHFFFAOYSA-N
MW378.27 g/mol
LogP5.25
Rot. Bonds2

About 2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile

2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile (PubChem CID 5172784) has the molecular formula C20H16BrN3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
PubChem CID5172784
Molecular FormulaC20H16BrN3
Molecular Weight378.27 g/mol
Exact Mass377.05
IUPAC Name2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2nc(N)c(C#N)c(-c3ccc(Br)cc3)c2C)cc1
InChIInChI=1S/C20H16BrN3/c1-12-3-5-15(6-4-12)19-13(2)18(17(11-22)20(23)24-19)14-7-9-16(21)10-8-14/h3-10H,1-2H3,(H2,23,24)
InChIKeyOOVTUYHHXFFLNJ-UHFFFAOYSA-N
XLogP5.25
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.27
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
CID 3341400
2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3341395
2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3346636
methyl 4-[2-amino-6-(4-bromophenyl)-3-cyano-5-methyl-4-pyridinyl]benzoate
CID 3345016
2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5172953
2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3343274
2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 3324008
2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3313314
2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 5159861
2-amino-4-(2-fluorophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172789
2-amino-6-(4-fluorophenyl)-5-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 5159717
2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(4-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317609

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile (CID 5172784) is 2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile is Cc1ccc(-c2nc(N)c(C#N)c(-c3ccc(Br)cc3)c2C)cc1.
What is the InChIKey of 2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is OOVTUYHHXFFLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3/c1-12-3-5-15(6-4-12)19-13(2)18(17(11-22)20(23)24-19)14-7-9-16(21)10-8-14/h3-10H,1-2H3,(H2,23,24).
What are the key properties of 2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile?
2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 378.27 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5172784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).