N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide

C21H22N4O3 — CID 155070797

IUPACN-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide
SMILESCOc1cc(Nc2cncc(-c3cccc(NC(C)=O)c3)n2)cc(C)c1OC
InChIInChI=1S/C21H22N4O3/c1-13-8-17(10-19(27-3)21(13)28-4)24-20-12-22-11-18(25-20)15-6-5-7-16(9-15)23-14(2)26/h5-12H,1-4H3,(H,23,26)(H,24,25)
InChIKeyTUHSTMBNEZJRDO-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.17
Rot. Bonds6

About N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide

N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide (PubChem CID 155070797) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide
PubChem CID155070797
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide
SMILESCOc1cc(Nc2cncc(-c3cccc(NC(C)=O)c3)n2)cc(C)c1OC
InChIInChI=1S/C21H22N4O3/c1-13-8-17(10-19(27-3)21(13)28-4)24-20-12-22-11-18(25-20)15-6-5-7-16(9-15)23-14(2)26/h5-12H,1-4H3,(H,23,26)(H,24,25)
InChIKeyTUHSTMBNEZJRDO-UHFFFAOYSA-N
XLogP4.17
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol
CID 11595532
2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
CID 59343485
N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide
CID 24879331
4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane
CID 143250197
1-[3-(trifluoromethyl)phenyl]-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea
CID 59343431
2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide
CID 66912565
[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol
CID 11710382
(3-fluorophenyl)-[[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]carbamoyl]azanium
CID 148535392
N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide
CID 87201830
3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid
CID 126473086
6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 11609049

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide (CID 155070797) is N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide is COc1cc(Nc2cncc(-c3cccc(NC(C)=O)c3)n2)cc(C)c1OC.
What is the InChIKey of N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide?
The InChIKey is TUHSTMBNEZJRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-8-17(10-19(27-3)21(13)28-4)24-20-12-22-11-18(25-20)15-6-5-7-16(9-15)23-14(2)26/h5-12H,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide?
N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 155070797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).