2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile

C24H23N7O3 — CID 58070347

About 2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile

2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile (PubChem CID 58070347) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is 2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile.

Molecular Properties

• Compound Name: 2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile
• PubChem CID: 58070347
• Molecular Formula: C24H23N7O3
• Molecular Weight: 457.49 g/mol
• Exact Mass: 457.19
• IUPAC Name: 2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile
• SMILES: CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C#N)c4)cnc3C)o2)c(OC)c1
• InChI: InChI=1S/C24H23N7O3/c1-14(10-25)31-13-17(6-8-21(31)32)19-12-27-15(2)22(28-19)24-30-29-23(34-24)18-7-5-16(11-26-3)9-20(18)33-4/h5-9,12-14,26H,11H2,1-4H3
• InChIKey: SIYGYRQJAOLYDY-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 131.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.49
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile?

The IUPAC name of 2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile (CID 58070347) is 2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile.

What is the SMILES notation for 2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile?

The canonical SMILES for 2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C#N)c4)cnc3C)o2)c(OC)c1.

What is the InChIKey of 2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile?

The InChIKey is SIYGYRQJAOLYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c1-14(10-25)31-13-17(6-8-21(31)32)19-12-27-15(2)22(28-19)24-30-29-23(34-24)18-7-5-16(11-26-3)9-20(18)33-4/h5-9,12-14,26H,11H2,1-4H3.

What are the key properties of 2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile?

2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile has a molecular weight of 457.49 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile is sourced from PubChem (CID 58070347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).