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

C21H19N7O2 — CID 59472169

IUPAC4-[5-amino-6-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4cccc(N)c4)o3)n2)cc1
InChIInChI=1S/C21H19N7O2/c1-28(2)21(29)13-8-6-12(7-9-13)16-11-24-18(23)17(25-16)20-27-26-19(30-20)14-4-3-5-15(22)10-14/h3-11H,22H2,1-2H3,(H2,23,24)
InChIKeyFDOZQMNGEHBJSX-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.73
Rot. Bonds4

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

4-[5-amino-6-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (PubChem CID 59472169) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-[5-amino-6-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
PubChem CID59472169
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name4-[5-amino-6-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4cccc(N)c4)o3)n2)cc1
InChIInChI=1S/C21H19N7O2/c1-28(2)21(29)13-8-6-12(7-9-13)16-11-24-18(23)17(25-16)20-27-26-19(30-20)14-4-3-5-15(22)10-14/h3-11H,22H2,1-2H3,(H2,23,24)
InChIKeyFDOZQMNGEHBJSX-UHFFFAOYSA-N
XLogP2.73
TPSA137.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (CID 59472169) is 4-[5-amino-6-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-amino-6-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4cccc(N)c4)o3)n2)cc1.
What is the InChIKey of 4-[5-amino-6-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is FDOZQMNGEHBJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-28(2)21(29)13-8-6-12(7-9-13)16-11-24-18(23)17(25-16)20-27-26-19(30-20)14-4-3-5-15(22)10-14/h3-11H,22H2,1-2H3,(H2,23,24).
What are the key properties of 4-[5-amino-6-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
4-[5-amino-6-[5-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 401.43 g/mol, XLogP of 2.73, 4 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-(3-aminophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59472169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).