5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-[2-(dimethylamino)ethyl]pyridin-2-one

C24H28N8O2 — CID 54672749

IUPAC5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-[2-(dimethylamino)ethyl]pyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CCN(C)C)c4)cnc3N)o2)c(C)c1
InChIInChI=1S/C24H28N8O2/c1-15-11-16(12-26-2)5-7-18(15)23-29-30-24(34-23)21-22(25)27-13-19(28-21)17-6-8-20(33)32(14-17)10-9-31(3)4/h5-8,11,13-14,26H,9-10,12H2,1-4H3,(H2,25,27)
InChIKeyQBWZOPGDVDRHTN-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.19
Rot. Bonds8

About 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-[2-(dimethylamino)ethyl]pyridin-2-one

5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-[2-(dimethylamino)ethyl]pyridin-2-one (PubChem CID 54672749) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-[2-(dimethylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-[2-(dimethylamino)ethyl]pyridin-2-one
PubChem CID54672749
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-[2-(dimethylamino)ethyl]pyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CCN(C)C)c4)cnc3N)o2)c(C)c1
InChIInChI=1S/C24H28N8O2/c1-15-11-16(12-26-2)5-7-18(15)23-29-30-24(34-23)21-22(25)27-13-19(28-21)17-6-8-20(33)32(14-17)10-9-31(3)4/h5-8,11,13-14,26H,9-10,12H2,1-4H3,(H2,25,27)
InChIKeyQBWZOPGDVDRHTN-UHFFFAOYSA-N
XLogP2.19
TPSA127.99 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-[2-(dimethylamino)ethyl]pyridin-2-one?
The IUPAC name of 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-[2-(dimethylamino)ethyl]pyridin-2-one (CID 54672749) is 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-[2-(dimethylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-[2-(dimethylamino)ethyl]pyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-[2-(dimethylamino)ethyl]pyridin-2-one is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CCN(C)C)c4)cnc3N)o2)c(C)c1.
What is the InChIKey of 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-[2-(dimethylamino)ethyl]pyridin-2-one?
The InChIKey is QBWZOPGDVDRHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-15-11-16(12-26-2)5-7-18(15)23-29-30-24(34-23)21-22(25)27-13-19(28-21)17-6-8-20(33)32(14-17)10-9-31(3)4/h5-8,11,13-14,26H,9-10,12H2,1-4H3,(H2,25,27).
What are the key properties of 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-[2-(dimethylamino)ethyl]pyridin-2-one?
5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-[2-(dimethylamino)ethyl]pyridin-2-one has a molecular weight of 460.54 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-[2-(dimethylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 54672749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).