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

C20H18N8O2 — CID 59472178

IUPAC4-[5-amino-6-[5-(pyridin-3-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(Nc4cccnc4)o3)n2)cc1
InChIInChI=1S/C20H18N8O2/c1-28(2)19(29)13-7-5-12(6-8-13)15-11-23-17(21)16(25-15)18-26-27-20(30-18)24-14-4-3-9-22-10-14/h3-11H,1-2H3,(H2,21,23)(H,24,27)
InChIKeyHTYXNYHBNWEXIX-UHFFFAOYSA-N
MW402.42 g/mol
LogP2.62
Rot. Bonds5

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

4-[5-amino-6-[5-(pyridin-3-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (PubChem CID 59472178) has the molecular formula C20H18N8O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 4-[5-amino-6-[5-(pyridin-3-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-[5-(pyridin-3-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
PubChem CID59472178
Molecular FormulaC20H18N8O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name4-[5-amino-6-[5-(pyridin-3-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(Nc4cccnc4)o3)n2)cc1
InChIInChI=1S/C20H18N8O2/c1-28(2)19(29)13-7-5-12(6-8-13)15-11-23-17(21)16(25-15)18-26-27-20(30-18)24-14-4-3-9-22-10-14/h3-11H,1-2H3,(H2,21,23)(H,24,27)
InChIKeyHTYXNYHBNWEXIX-UHFFFAOYSA-N
XLogP2.62
TPSA135.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[5-(pyridin-3-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-[5-(pyridin-3-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (CID 59472178) is 4-[5-amino-6-[5-(pyridin-3-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-amino-6-[5-(pyridin-3-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-[5-(pyridin-3-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(Nc4cccnc4)o3)n2)cc1.
What is the InChIKey of 4-[5-amino-6-[5-(pyridin-3-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is HTYXNYHBNWEXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O2/c1-28(2)19(29)13-7-5-12(6-8-13)15-11-23-17(21)16(25-15)18-26-27-20(30-18)24-14-4-3-9-22-10-14/h3-11H,1-2H3,(H2,21,23)(H,24,27).
What are the key properties of 4-[5-amino-6-[5-(pyridin-3-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
4-[5-amino-6-[5-(pyridin-3-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 402.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-[5-(pyridin-3-ylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59472178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).