2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile

C20H16BrN3O2 — CID 3395715

IUPAC2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)c1OC
InChIInChI=1S/C20H16BrN3O2/c1-25-18-5-3-4-14(19(18)26-2)15-10-17(24-20(23)16(15)11-22)12-6-8-13(21)9-7-12/h3-10H,1-2H3,(H2,23,24)
InChIKeyNKKIKSBMCICUQE-UHFFFAOYSA-N
MW410.27 g/mol
LogP4.65
Rot. Bonds4

About 2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 3395715) has the molecular formula C20H16BrN3O2 and a molecular weight of 410.27 g/mol. Its IUPAC name is 2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID3395715
Molecular FormulaC20H16BrN3O2
Molecular Weight410.27 g/mol
Exact Mass409.04
IUPAC Name2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)c1OC
InChIInChI=1S/C20H16BrN3O2/c1-25-18-5-3-4-14(19(18)26-2)15-10-17(24-20(23)16(15)11-22)12-6-8-13(21)9-7-12/h3-10H,1-2H3,(H2,23,24)
InChIKeyNKKIKSBMCICUQE-UHFFFAOYSA-N
XLogP4.65
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
CID 5117523
2-amino-4-(2-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231002
2-amino-6-(4-hydroxyphenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 856314
2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5117892
2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5230020
2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile
CID 3395714
2-amino-6-(3-fluorophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5118716
2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 4636477
2-amino-6-(4-bromophenyl)-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 3395709
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-fluorophenyl)pyridine-3-carbonitrile
CID 3360582
2-amino-6-(3-fluorophenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 5118237
2-amino-6-phenyl-4-(2,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3353886

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile (CID 3395715) is 2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile is COc1cccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)c1OC.
What is the InChIKey of 2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is NKKIKSBMCICUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O2/c1-25-18-5-3-4-14(19(18)26-2)15-10-17(24-20(23)16(15)11-22)12-6-8-13(21)9-7-12/h3-10H,1-2H3,(H2,23,24).
What are the key properties of 2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 410.27 g/mol, XLogP of 4.65, 4 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-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3395715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).