3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C21H18N6O2 — CID 162634482

About 3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 162634482) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
• PubChem CID: 162634482
• Molecular Formula: C21H18N6O2
• Molecular Weight: 386.42 g/mol
• Exact Mass: 386.15
• IUPAC Name: 3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
• SMILES: CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cccc(-c2cncc(N)n2)c1
• InChI: InChI=1S/C21H18N6O2/c1-27(13-19-25-26-20(29-19)14-6-3-2-4-7-14)21(28)16-9-5-8-15(10-16)17-11-23-12-18(22)24-17/h2-12H,13H2,1H3,(H2,22,24)
• InChIKey: FEJAHPHJGCBVBY-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 111.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.42
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

The IUPAC name of 3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 162634482) is 3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

What is the SMILES notation for 3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

The canonical SMILES for 3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cccc(-c2cncc(N)n2)c1.

What is the InChIKey of 3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

The InChIKey is FEJAHPHJGCBVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-27(13-19-25-26-20(29-19)14-6-3-2-4-7-14)21(28)16-9-5-8-15(10-16)17-11-23-12-18(22)24-17/h2-12H,13H2,1H3,(H2,22,24).

What are the key properties of 3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 386.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 162634482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).