2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile

C21H18BrN3O2 — CID 5241528

IUPAC2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccc(OC)c(Br)c3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C21H18BrN3O2/c1-3-27-15-7-4-13(5-8-15)19-11-16(17(12-23)21(24)25-19)14-6-9-20(26-2)18(22)10-14/h4-11H,3H2,1-2H3,(H2,24,25)
InChIKeyTUZGGQPMWIBIBA-UHFFFAOYSA-N
MW424.30 g/mol
LogP5.04
Rot. Bonds5

About 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile

2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 5241528) has the molecular formula C21H18BrN3O2 and a molecular weight of 424.30 g/mol. Its IUPAC name is 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
PubChem CID5241528
Molecular FormulaC21H18BrN3O2
Molecular Weight424.30 g/mol
Exact Mass423.06
IUPAC Name2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccc(OC)c(Br)c3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C21H18BrN3O2/c1-3-27-15-7-4-13(5-8-15)19-11-16(17(12-23)21(24)25-19)14-6-9-20(26-2)18(22)10-14/h4-11H,3H2,1-2H3,(H2,24,25)
InChIKeyTUZGGQPMWIBIBA-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

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Related Compounds

2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5259045
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-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile
CID 3395714
2-amino-4-(4-ethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3363551
2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5241532
2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5153880
2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
CID 5153870
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 5119915
2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile
CID 5241329
2-amino-4-(2-ethoxyphenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3371240
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile (CID 5241528) is 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile is CCOc1ccc(-c2cc(-c3ccc(OC)c(Br)c3)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is TUZGGQPMWIBIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O2/c1-3-27-15-7-4-13(5-8-15)19-11-16(17(12-23)21(24)25-19)14-6-9-20(26-2)18(22)10-14/h4-11H,3H2,1-2H3,(H2,24,25).
What are the key properties of 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile?
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)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-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5241528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).