5-[6-[5-[3-[(tert-butylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen

C26H34N6O2 — CID 158392426

About 5-[6-[5-[3-[(tert-butylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen

5-[6-[5-[3-[(tert-butylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen (PubChem CID 158392426) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 5-[6-[5-[3-[(tert-butylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen.

Molecular Properties

• Compound Name: 5-[6-[5-[3-[(tert-butylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen
• PubChem CID: 158392426
• Molecular Formula: C26H34N6O2
• Molecular Weight: 462.60 g/mol
• Exact Mass: 462.27
• IUPAC Name: 5-[6-[5-[3-[(tert-butylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen
• SMILES: Cc1ncc(-c2ccc(=O)n(C(C)C)c2)nc1-c1nnc(-c2cccc(CNC(C)(C)C)c2)o1.[H][H].[H][H]
• InChI: InChI=1S/C26H30N6O2.2H2/c1-16(2)32-15-20(10-11-22(32)33)21-14-27-17(3)23(29-21)25-31-30-24(34-25)19-9-7-8-18(12-19)13-28-26(4,5)6;;/h7-12,14-16,28H,13H2,1-6H3;2*1H
• InChIKey: GXCXNNHPZVZKSW-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.60
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-[3-[(tert-butylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen?

The IUPAC name of 5-[6-[5-[3-[(tert-butylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen (CID 158392426) is 5-[6-[5-[3-[(tert-butylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen.

What is the SMILES notation for 5-[6-[5-[3-[(tert-butylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen?

The canonical SMILES for 5-[6-[5-[3-[(tert-butylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen is Cc1ncc(-c2ccc(=O)n(C(C)C)c2)nc1-c1nnc(-c2cccc(CNC(C)(C)C)c2)o1.[H][H].[H][H].

What is the InChIKey of 5-[6-[5-[3-[(tert-butylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen?

The InChIKey is GXCXNNHPZVZKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2.2H2/c1-16(2)32-15-20(10-11-22(32)33)21-14-27-17(3)23(29-21)25-31-30-24(34-25)19-9-7-8-18(12-19)13-28-26(4,5)6;;/h7-12,14-16,28H,13H2,1-6H3;2*1H.

What are the key properties of 5-[6-[5-[3-[(tert-butylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen?

5-[6-[5-[3-[(tert-butylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen has a molecular weight of 462.60 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[5-[3-[(tert-butylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen is sourced from PubChem (CID 158392426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).