4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide

C20H20N4O4 — CID 11696578

IUPAC4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
SMILESCOc1cc(Nc2cncc(-c3ccc(C(N)=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H20N4O4/c1-26-16-8-14(9-17(27-2)19(16)28-3)23-18-11-22-10-15(24-18)12-4-6-13(7-5-12)20(21)25/h4-11H,1-3H3,(H2,21,25)(H,23,24)
InChIKeyLZLKDDDQYGMZTB-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.01
Rot. Bonds7

About 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide

4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide (PubChem CID 11696578) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
PubChem CID11696578
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
SMILESCOc1cc(Nc2cncc(-c3ccc(C(N)=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H20N4O4/c1-26-16-8-14(9-17(27-2)19(16)28-3)23-18-11-22-10-15(24-18)12-4-6-13(7-5-12)20(21)25/h4-11H,1-3H3,(H2,21,25)(H,23,24)
InChIKeyLZLKDDDQYGMZTB-UHFFFAOYSA-N
XLogP3.01
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol
CID 11710382
N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide
CID 87201830
2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide
CID 66912565
3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol
CID 11595532
1-[3-(trifluoromethyl)phenyl]-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea
CID 59343431
N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide
CID 155070797
6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane
CID 143250197
(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]amino]phenyl]acetamide
CID 24879331
6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 11609049
4-[6-(ethylamino)pyrazin-2-yl]benzamide
CID 6482688
4-(3,4,5-trimethoxyphenyl)benzamide
CID 39746262

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide?
The IUPAC name of 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide (CID 11696578) is 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide is COc1cc(Nc2cncc(-c3ccc(C(N)=O)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide?
The InChIKey is LZLKDDDQYGMZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-26-16-8-14(9-17(27-2)19(16)28-3)23-18-11-22-10-15(24-18)12-4-6-13(7-5-12)20(21)25/h4-11H,1-3H3,(H2,21,25)(H,23,24).
What are the key properties of 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide?
4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide has a molecular weight of 380.40 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide is sourced from PubChem (CID 11696578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).