4-[5-amino-6-[5-(3-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate

C66H64BrN21O9 — CID 157294666

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

4-[5-amino-6-[5-(3-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate (PubChem CID 157294666) has the molecular formula C66H64BrN21O9 and a molecular weight of 1375.28 g/mol. Its IUPAC name is 4-[5-amino-6-[5-(3-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate.

Molecular Properties

• Compound Name: 4-[5-amino-6-[5-(3-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate
• PubChem CID: 157294666
• Molecular Formula: C66H64BrN21O9
• Molecular Weight: 1375.28 g/mol
• Exact Mass: 1373.44
• IUPAC Name: 4-[5-amino-6-[5-(3-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate
• SMILES: C=Cc1cccc(-c2nnc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)cnc3N)o2)c1.CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4cccc(CCO)c4)o3)n2)cc1.CN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)NN)n2)cc1.COC(=O)c1nc(Br)cnc1N
• InChI: InChI=1S/C23H22N6O3.C23H20N6O2.C14H16N6O2.C6H6BrN3O2/c1-29(2)23(31)16-8-6-15(7-9-16)18-13-25-20(24)19(26-18)22-28-27-21(32-22)17-5-3-4-14(12-17)10-11-30;1-4-14-6-5-7-17(12-14)21-27-28-22(31-21)19-20(24)25-13-18(26-19)15-8-10-16(11-9-15)23(30)29(2)3;1-20(2)14(22)9-5-3-8(4-6-9)10-7-17-12(15)11(18-10)13(21)19-16;1-12-6(11)4-5(8)9-2-3(7)10-4/h3-9,12-13,30H,10-11H2,1-2H3,(H2,24,25);4-13H,1H2,2-3H3,(H2,24,25);3-7H,16H2,1-2H3,(H2,15,17)(H,19,21);2H,1H3,(H2,8,9)
• InChIKey: BBFCAZWKIJMNKS-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 447.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1375.28
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-[5-amino-6-[5-(3-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate (CID 157294666) is 4-[5-amino-6-[5-(3-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate.

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

The canonical SMILES for 4-[5-amino-6-[5-(3-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate is C=Cc1cccc(-c2nnc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)cnc3N)o2)c1.CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4cccc(CCO)c4)o3)n2)cc1.CN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)NN)n2)cc1.COC(=O)c1nc(Br)cnc1N.

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

The InChIKey is BBFCAZWKIJMNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3.C23H20N6O2.C14H16N6O2.C6H6BrN3O2/c1-29(2)23(31)16-8-6-15(7-9-16)18-13-25-20(24)19(26-18)22-28-27-21(32-22)17-5-3-4-14(12-17)10-11-30;1-4-14-6-5-7-17(12-14)21-27-28-22(31-21)19-20(24)25-13-18(26-19)15-8-10-16(11-9-15)23(30)29(2)3;1-20(2)14(22)9-5-3-8(4-6-9)10-7-17-12(15)11(18-10)13(21)19-16;1-12-6(11)4-5(8)9-2-3(7)10-4/h3-9,12-13,30H,10-11H2,1-2H3,(H2,24,25);4-13H,1H2,2-3H3,(H2,24,25);3-7H,16H2,1-2H3,(H2,15,17)(H,19,21);2H,1H3,(H2,8,9).

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

4-[5-amino-6-[5-(3-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate has a molecular weight of 1375.28 g/mol, XLogP of 7.11, 15 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-amino-6-[5-(3-ethenylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate is sourced from PubChem (CID 157294666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).