2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile

C22H20BrN3 — CID 5088555

IUPAC2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
SMILESCC(C)Cc1ccc(-c2cc(-c3cccc(Br)c3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C22H20BrN3/c1-14(2)10-15-6-8-16(9-7-15)21-12-19(20(13-24)22(25)26-21)17-4-3-5-18(23)11-17/h3-9,11-12,14H,10H2,1-2H3,(H2,25,26)
InChIKeyUIPGXAZEFCJTDB-UHFFFAOYSA-N
MW406.33 g/mol
LogP5.83
Rot. Bonds4

About 2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile

2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile (PubChem CID 5088555) has the molecular formula C22H20BrN3 and a molecular weight of 406.33 g/mol. Its IUPAC name is 2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
PubChem CID5088555
Molecular FormulaC22H20BrN3
Molecular Weight406.33 g/mol
Exact Mass405.08
IUPAC Name2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
SMILESCC(C)Cc1ccc(-c2cc(-c3cccc(Br)c3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C22H20BrN3/c1-14(2)10-15-6-8-16(9-7-15)21-12-19(20(13-24)22(25)26-21)17-4-3-5-18(23)11-17/h3-9,11-12,14H,10H2,1-2H3,(H2,25,26)
InChIKeyUIPGXAZEFCJTDB-UHFFFAOYSA-N
XLogP5.83
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.33
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile (CID 5088555) is 2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile is CC(C)Cc1ccc(-c2cc(-c3cccc(Br)c3)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is UIPGXAZEFCJTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3/c1-14(2)10-15-6-8-16(9-7-15)21-12-19(20(13-24)22(25)26-21)17-4-3-5-18(23)11-17/h3-9,11-12,14H,10H2,1-2H3,(H2,25,26).
What are the key properties of 2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile?
2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 406.33 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 5088555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).