N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide

C21H22N4O5 — CID 24879529

IUPACN-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide
SMILESCOc1cc(Nc2cncc(Oc3cccc(NC(C)=O)c3)n2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O5/c1-13(26)23-14-6-5-7-16(8-14)30-20-12-22-11-19(25-20)24-15-9-17(27-2)21(29-4)18(10-15)28-3/h5-12H,1-4H3,(H,23,26)(H,24,25)
InChIKeyVAFXKTKSDPMAHT-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.00
Rot. Bonds8

About N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide

N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide (PubChem CID 24879529) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide
PubChem CID24879529
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC NameN-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide
SMILESCOc1cc(Nc2cncc(Oc3cccc(NC(C)=O)c3)n2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O5/c1-13(26)23-14-6-5-7-16(8-14)30-20-12-22-11-19(25-20)24-15-9-17(27-2)21(29-4)18(10-15)28-3/h5-12H,1-4H3,(H,23,26)(H,24,25)
InChIKeyVAFXKTKSDPMAHT-UHFFFAOYSA-N
XLogP4.00
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide?
The IUPAC name of N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide (CID 24879529) is N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide is COc1cc(Nc2cncc(Oc3cccc(NC(C)=O)c3)n2)cc(OC)c1OC.
What is the InChIKey of N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide?
The InChIKey is VAFXKTKSDPMAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-13(26)23-14-6-5-7-16(8-14)30-20-12-22-11-19(25-20)24-15-9-17(27-2)21(29-4)18(10-15)28-3/h5-12H,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide?
N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide has a molecular weight of 410.43 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide is sourced from PubChem (CID 24879529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).