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

C23H22N8O2 — CID 54673244

IUPAC3-[5-amino-6-[5-[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)cc1
InChIInChI=1S/C23H22N8O2/c1-13(2)31-18(10-24)16(8-9-19(31)32)17-12-27-21(25)20(28-17)23-30-29-22(33-23)15-6-4-14(5-7-15)11-26-3/h4-9,12-13,26H,11H2,1-3H3,(H2,25,27)
InChIKeyQLZGLQBSQZGNPU-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.78
Rot. Bonds6

About 3-[5-amino-6-[5-[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-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile (PubChem CID 54673244) has the molecular formula C23H22N8O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 3-[5-amino-6-[5-[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-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile
PubChem CID54673244
Molecular FormulaC23H22N8O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC Name3-[5-amino-6-[5-[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)cc1
InChIInChI=1S/C23H22N8O2/c1-13(2)31-18(10-24)16(8-9-19(31)32)17-12-27-21(25)20(28-17)23-30-29-22(33-23)15-6-4-14(5-7-15)11-26-3/h4-9,12-13,26H,11H2,1-3H3,(H2,25,27)
InChIKeyQLZGLQBSQZGNPU-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-[5-[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-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile (CID 54673244) is 3-[5-amino-6-[5-[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-[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-[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)cc1.
What is the InChIKey of 3-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile?
The InChIKey is QLZGLQBSQZGNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2/c1-13(2)31-18(10-24)16(8-9-19(31)32)17-12-27-21(25)20(28-17)23-30-29-22(33-23)15-6-4-14(5-7-15)11-26-3/h4-9,12-13,26H,11H2,1-3H3,(H2,25,27).
What are the key properties of 3-[5-amino-6-[5-[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-[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 442.48 g/mol, XLogP of 2.78, 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-[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 54673244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).