4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-ethylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methane;methyl 3-amino-6-bromopyrazine-2-carboxylate

C74H69BrIN21O8 — CID 157398226

About 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-ethylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methane;methyl 3-amino-6-bromopyrazine-2-carboxylate

4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-ethylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methane;methyl 3-amino-6-bromopyrazine-2-carboxylate (PubChem CID 157398226) has the molecular formula C74H69BrIN21O8 and a molecular weight of 1587.31 g/mol. Its IUPAC name is 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-ethylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methane;methyl 3-amino-6-bromopyrazine-2-carboxylate.

Molecular Properties

• Compound Name: 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-ethylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methane;methyl 3-amino-6-bromopyrazine-2-carboxylate
• PubChem CID: 157398226
• Molecular Formula: C74H69BrIN21O8
• Molecular Weight: 1587.31 g/mol
• Exact Mass: 1585.39
• IUPAC Name: 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-ethylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methane;methyl 3-amino-6-bromopyrazine-2-carboxylate
• SMILES: C.C=Cc1ccccc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1.CCc1ccccc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1.CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4I)o3)n2)cc1.COC(=O)c1nc(Br)cnc1N
• InChI: InChI=1S/C23H22N6O2.C23H20N6O2.C21H17IN6O2.C6H6BrN3O2.CH4/c2*1-4-14-7-5-6-8-17(14)21-27-28-22(31-21)19-20(24)25-13-18(26-19)15-9-11-16(12-10-15)23(30)29(2)3;1-28(2)21(29)13-9-7-12(8-10-13)16-11-24-18(23)17(25-16)20-27-26-19(30-20)14-5-3-4-6-15(14)22;1-12-6(11)4-5(8)9-2-3(7)10-4;/h5-13H,4H2,1-3H3,(H2,24,25);4-13H,1H2,2-3H3,(H2,24,25);3-11H,1-2H3,(H2,23,24);2H,1H3,(H2,8,9);1H4
• InChIKey: BMVIKRGKIFOQGQ-UHFFFAOYSA-N
• XLogP: 12.49
• TPSA: 411.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1587.31
LogP ≤ 5	12.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-ethylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methane;methyl 3-amino-6-bromopyrazine-2-carboxylate?

The IUPAC name of 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-ethylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methane;methyl 3-amino-6-bromopyrazine-2-carboxylate (CID 157398226) is 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-ethylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methane;methyl 3-amino-6-bromopyrazine-2-carboxylate.

What is the SMILES notation for 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-ethylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methane;methyl 3-amino-6-bromopyrazine-2-carboxylate?

The canonical SMILES for 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-ethylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methane;methyl 3-amino-6-bromopyrazine-2-carboxylate is C.C=Cc1ccccc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1.CCc1ccccc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1.CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4I)o3)n2)cc1.COC(=O)c1nc(Br)cnc1N.

What is the InChIKey of 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-ethylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methane;methyl 3-amino-6-bromopyrazine-2-carboxylate?

The InChIKey is BMVIKRGKIFOQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2.C23H20N6O2.C21H17IN6O2.C6H6BrN3O2.CH4/c2*1-4-14-7-5-6-8-17(14)21-27-28-22(31-21)19-20(24)25-13-18(26-19)15-9-11-16(12-10-15)23(30)29(2)3;1-28(2)21(29)13-9-7-12(8-10-13)16-11-24-18(23)17(25-16)20-27-26-19(30-20)14-5-3-4-6-15(14)22;1-12-6(11)4-5(8)9-2-3(7)10-4;/h5-13H,4H2,1-3H3,(H2,24,25);4-13H,1H2,2-3H3,(H2,24,25);3-11H,1-2H3,(H2,23,24);2H,1H3,(H2,8,9);1H4.

What are the key properties of 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-ethylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methane;methyl 3-amino-6-bromopyrazine-2-carboxylate?

4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-ethylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methane;methyl 3-amino-6-bromopyrazine-2-carboxylate has a molecular weight of 1587.31 g/mol, XLogP of 12.49, 15 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-amino-6-[5-(2-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-ethylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methane;methyl 3-amino-6-bromopyrazine-2-carboxylate is sourced from PubChem (CID 157398226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).