2-amino-4-(3-bromophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile

C19H14BrN3O — CID 1350383

IUPAC2-amino-4-(3-bromophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cccc(Br)c3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C19H14BrN3O/c1-24-15-7-5-12(6-8-15)18-10-16(17(11-21)19(22)23-18)13-3-2-4-14(20)9-13/h2-10H,1H3,(H2,22,23)
InChIKeyVRGKDTFQDYCZFO-UHFFFAOYSA-N
MW380.25 g/mol
LogP4.64
Rot. Bonds3

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

2-amino-4-(3-bromophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 1350383) has the molecular formula C19H14BrN3O and a molecular weight of 380.25 g/mol. Its IUPAC name is 2-amino-4-(3-bromophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-bromophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID1350383
Molecular FormulaC19H14BrN3O
Molecular Weight380.25 g/mol
Exact Mass379.03
IUPAC Name2-amino-4-(3-bromophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cccc(Br)c3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C19H14BrN3O/c1-24-15-7-5-12(6-8-15)18-10-16(17(11-21)19(22)23-18)13-3-2-4-14(20)9-13/h2-10H,1H3,(H2,22,23)
InChIKeyVRGKDTFQDYCZFO-UHFFFAOYSA-N
XLogP4.64
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(3-bromophenyl)-6-(4-methoxyphenyl)pyridine-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-amino-4-(3-bromophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-bromophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile (CID 1350383) is 2-amino-4-(3-bromophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-bromophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-bromophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3cccc(Br)c3)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-4-(3-bromophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is VRGKDTFQDYCZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O/c1-24-15-7-5-12(6-8-15)18-10-16(17(11-21)19(22)23-18)13-3-2-4-14(20)9-13/h2-10H,1H3,(H2,22,23).
What are the key properties of 2-amino-4-(3-bromophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-4-(3-bromophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 380.25 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-bromophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 1350383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).