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

C24H24N8O2 — CID 54673242

IUPAC3-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4C#N)cnc3N)o2)c(C)c1
InChIInChI=1S/C24H24N8O2/c1-13(2)32-19(10-25)17(7-8-20(32)33)18-12-28-22(26)21(29-18)24-31-30-23(34-24)16-6-5-15(11-27-4)9-14(16)3/h5-9,12-13,27H,11H2,1-4H3,(H2,26,28)
InChIKeyGXOJFHXFMPBWGY-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.08
Rot. Bonds6

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

3-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile (PubChem CID 54673242) has the molecular formula C24H24N8O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is 3-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile
PubChem CID54673242
Molecular FormulaC24H24N8O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC Name3-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4C#N)cnc3N)o2)c(C)c1
InChIInChI=1S/C24H24N8O2/c1-13(2)32-19(10-25)17(7-8-20(32)33)18-12-28-22(26)21(29-18)24-31-30-23(34-24)16-6-5-15(11-27-4)9-14(16)3/h5-9,12-13,27H,11H2,1-4H3,(H2,26,28)
InChIKeyGXOJFHXFMPBWGY-UHFFFAOYSA-N
XLogP3.08
TPSA148.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile?
The IUPAC name of 3-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile (CID 54673242) is 3-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile.
What is the SMILES notation for 3-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile?
The canonical SMILES for 3-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4C#N)cnc3N)o2)c(C)c1.
What is the InChIKey of 3-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile?
The InChIKey is GXOJFHXFMPBWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2/c1-13(2)32-19(10-25)17(7-8-20(32)33)18-12-28-22(26)21(29-18)24-31-30-23(34-24)16-6-5-15(11-27-4)9-14(16)3/h5-9,12-13,27H,11H2,1-4H3,(H2,26,28).
What are the key properties of 3-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile?
3-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile has a molecular weight of 456.51 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile is sourced from PubChem (CID 54673242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).