4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide

C21H19N7O2 — CID 59472109

IUPAC4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(Nc4ccccc4)o3)n2)cc1
InChIInChI=1S/C21H19N7O2/c1-28(2)20(29)14-10-8-13(9-11-14)16-12-23-18(22)17(25-16)19-26-27-21(30-19)24-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,22,23)(H,24,27)
InChIKeyQMHAHAPMCGUISL-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.22
Rot. Bonds5

About 4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide

4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide (PubChem CID 59472109) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
PubChem CID59472109
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(Nc4ccccc4)o3)n2)cc1
InChIInChI=1S/C21H19N7O2/c1-28(2)20(29)14-10-8-13(9-11-14)16-12-23-18(22)17(25-16)19-26-27-21(30-19)24-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,22,23)(H,24,27)
InChIKeyQMHAHAPMCGUISL-UHFFFAOYSA-N
XLogP3.22
TPSA123.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide (CID 59472109) is 4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(Nc4ccccc4)o3)n2)cc1.
What is the InChIKey of 4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is QMHAHAPMCGUISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-28(2)20(29)14-10-8-13(9-11-14)16-12-23-18(22)17(25-16)19-26-27-21(30-19)24-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,22,23)(H,24,27).
What are the key properties of 4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 401.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59472109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).