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

C20H17N7O2 — CID 59472289

IUPAC4-[5-amino-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccn4)o3)n2)cc1
InChIInChI=1S/C20H17N7O2/c1-27(2)20(28)13-8-6-12(7-9-13)15-11-23-17(21)16(24-15)19-26-25-18(29-19)14-5-3-4-10-22-14/h3-11H,1-2H3,(H2,21,23)
InChIKeyNWVSZAIYUZBPNA-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.54
Rot. Bonds4

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

4-[5-amino-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide (PubChem CID 59472289) has the molecular formula C20H17N7O2 and a molecular weight of 387.40 g/mol. Its IUPAC name is 4-[5-amino-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
PubChem CID59472289
Molecular FormulaC20H17N7O2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC Name4-[5-amino-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccn4)o3)n2)cc1
InChIInChI=1S/C20H17N7O2/c1-27(2)20(28)13-8-6-12(7-9-13)15-11-23-17(21)16(24-15)19-26-25-18(29-19)14-5-3-4-10-22-14/h3-11H,1-2H3,(H2,21,23)
InChIKeyNWVSZAIYUZBPNA-UHFFFAOYSA-N
XLogP2.54
TPSA123.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide (CID 59472289) is 4-[5-amino-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-amino-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccn4)o3)n2)cc1.
What is the InChIKey of 4-[5-amino-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is NWVSZAIYUZBPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O2/c1-27(2)20(28)13-8-6-12(7-9-13)15-11-23-17(21)16(24-15)19-26-25-18(29-19)14-5-3-4-10-22-14/h3-11H,1-2H3,(H2,21,23).
What are the key properties of 4-[5-amino-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
4-[5-amino-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 387.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59472289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).