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

C21H22N4O5 — CID 24879264

IUPACN-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide
SMILESCOc1cc(Nc2cncc(Oc3ccc(NC(C)=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O5/c1-13(26)23-14-5-7-16(8-6-14)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)
InChIKeyMRZQEJWURHRXDS-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.00
Rot. Bonds8

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

N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide (PubChem CID 24879264) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide
PubChem CID24879264
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC NameN-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide
SMILESCOc1cc(Nc2cncc(Oc3ccc(NC(C)=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O5/c1-13(26)23-14-5-7-16(8-6-14)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)
InChIKeyMRZQEJWURHRXDS-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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Related Compounds

4-Pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521016
4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521017
4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521018
N-[5-({6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}oxy)naphthalen-1-yl]acetamide
CID 24879265
N-{4-[6-(3,4,5-trimethoxyphenylamino)pyrazin-2-yloxy]naphthalen-1-yl}acetamide
CID 24879328
4-(6-Methyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3,4,5-trimethoxy-phenyl)pyridin-2-amine
CID 44521014
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521015
Acetamide, N-[3-[6-[(3,4,5-trimethoxyphenyl)amino]pyrazinyl]phenyl]-
CID 11682654
1-Phenyl-3-(4-{6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}phenyl)urea
CID 24879141
6-(naphthalen-1-yloxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879205
N2-(pyridin-4-yl)-N6-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine
CID 24879390
6-(quinolin-4-yloxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879463

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide?
The IUPAC name of N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide (CID 24879264) is N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide is COc1cc(Nc2cncc(Oc3ccc(NC(C)=O)cc3)n2)cc(OC)c1OC.
What is the InChIKey of N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide?
The InChIKey is MRZQEJWURHRXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-13(26)23-14-5-7-16(8-6-14)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-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide?
N-[4-[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-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]acetamide is sourced from PubChem (CID 24879264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).