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

C23H22N8O3 — CID 58070481

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

2-[5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile (PubChem CID 58070481) has the molecular formula C23H22N8O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is 2-[5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile.

Molecular Properties

• Compound Name: 2-[5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile
• PubChem CID: 58070481
• Molecular Formula: C23H22N8O3
• Molecular Weight: 458.48 g/mol
• Exact Mass: 458.18
• IUPAC Name: 2-[5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile
• SMILES: CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C#N)c4)cnc3N)o2)c(OC)c1
• InChI: InChI=1S/C23H22N8O3/c1-13(9-24)31-12-15(5-7-19(31)32)17-11-27-21(25)20(28-17)23-30-29-22(34-23)16-6-4-14(10-26-2)8-18(16)33-3/h4-8,11-13,26H,10H2,1-3H3,(H2,25,27)
• InChIKey: AFZKUSNXKCZUML-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 157.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.48
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 2-[5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile (CID 58070481) is 2-[5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile.

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

The canonical SMILES for 2-[5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C#N)c4)cnc3N)o2)c(OC)c1.

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

The InChIKey is AFZKUSNXKCZUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O3/c1-13(9-24)31-12-15(5-7-19(31)32)17-11-27-21(25)20(28-17)23-30-29-22(34-23)16-6-4-14(10-26-2)8-18(16)33-3/h4-8,11-13,26H,10H2,1-3H3,(H2,25,27).

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

2-[5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile has a molecular weight of 458.48 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-amino-6-[5-[2-methoxy-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile is sourced from PubChem (CID 58070481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).