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

C23H22N8O2 — CID 54675127

IUPAC2-[5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C#N)c4)cnc3N)o2)c(C)c1
InChIInChI=1S/C23H22N8O2/c1-13-8-15(10-26-3)4-6-17(13)22-29-30-23(33-22)20-21(25)27-11-18(28-20)16-5-7-19(32)31(12-16)14(2)9-24/h4-8,11-12,14,26H,10H2,1-3H3,(H2,25,27)
InChIKeyBYUTZONDJKGDPI-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.72
Rot. Bonds6

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

2-[5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile (PubChem CID 54675127) has the molecular formula C23H22N8O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 2-[5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile.

Molecular Properties

Compound Name2-[5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile
PubChem CID54675127
Molecular FormulaC23H22N8O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC Name2-[5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C#N)c4)cnc3N)o2)c(C)c1
InChIInChI=1S/C23H22N8O2/c1-13-8-15(10-26-3)4-6-17(13)22-29-30-23(33-22)20-21(25)27-11-18(28-20)16-5-7-19(32)31(12-16)14(2)9-24/h4-8,11-12,14,26H,10H2,1-3H3,(H2,25,27)
InChIKeyBYUTZONDJKGDPI-UHFFFAOYSA-N
XLogP2.72
TPSA148.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-amino-6-[5-[2-methyl-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-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile (CID 54675127) is 2-[5-[5-amino-6-[5-[2-methyl-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-methyl-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-methyl-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(C)c1.
What is the InChIKey of 2-[5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile?
The InChIKey is BYUTZONDJKGDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2/c1-13-8-15(10-26-3)4-6-17(13)22-29-30-23(33-22)20-21(25)27-11-18(28-20)16-5-7-19(32)31(12-16)14(2)9-24/h4-8,11-12,14,26H,10H2,1-3H3,(H2,25,27).
What are the key properties of 2-[5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile?
2-[5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile has a molecular weight of 442.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile is sourced from PubChem (CID 54675127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).