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

C20H18N8O2 — CID 59471846

IUPAC4-[5-amino-6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccnc(N)c4)o3)n2)cc1
InChIInChI=1S/C20H18N8O2/c1-28(2)20(29)12-5-3-11(4-6-12)14-10-24-17(22)16(25-14)19-27-26-18(30-19)13-7-8-23-15(21)9-13/h3-10H,1-2H3,(H2,21,23)(H2,22,24)
InChIKeyFFKVTSKHKMGUEH-UHFFFAOYSA-N
MW402.42 g/mol
LogP2.12
Rot. Bonds4

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

4-[5-amino-6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (PubChem CID 59471846) has the molecular formula C20H18N8O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 4-[5-amino-6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
PubChem CID59471846
Molecular FormulaC20H18N8O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name4-[5-amino-6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccnc(N)c4)o3)n2)cc1
InChIInChI=1S/C20H18N8O2/c1-28(2)20(29)12-5-3-11(4-6-12)14-10-24-17(22)16(25-14)19-27-26-18(30-19)13-7-8-23-15(21)9-13/h3-10H,1-2H3,(H2,21,23)(H2,22,24)
InChIKeyFFKVTSKHKMGUEH-UHFFFAOYSA-N
XLogP2.12
TPSA149.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 52.12
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-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (CID 59471846) is 4-[5-amino-6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-amino-6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccnc(N)c4)o3)n2)cc1.
What is the InChIKey of 4-[5-amino-6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is FFKVTSKHKMGUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O2/c1-28(2)20(29)12-5-3-11(4-6-12)14-10-24-17(22)16(25-14)19-27-26-18(30-19)13-7-8-23-15(21)9-13/h3-10H,1-2H3,(H2,21,23)(H2,22,24).
What are the key properties of 4-[5-amino-6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
4-[5-amino-6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 402.42 g/mol, XLogP of 2.12, 4 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-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59471846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).