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

C26H22F2N4O4 — CID 66912565

IUPAC2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide
SMILESCOc1cc(Nc2cncc(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C26H22F2N4O4/c1-34-21-11-17(12-22(35-2)25(21)36-3)30-23-14-29-13-20(32-23)15-7-9-16(10-8-15)31-26(33)24-18(27)5-4-6-19(24)28/h4-14H,1-3H3,(H,30,32)(H,31,33)
InChIKeyCQZJLCDKSDLZBN-UHFFFAOYSA-N
MW492.48 g/mol
LogP5.44
Rot. Bonds8

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

2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide (PubChem CID 66912565) has the molecular formula C26H22F2N4O4 and a molecular weight of 492.48 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide
PubChem CID66912565
Molecular FormulaC26H22F2N4O4
Molecular Weight492.48 g/mol
Exact Mass492.16
IUPAC Name2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide
SMILESCOc1cc(Nc2cncc(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C26H22F2N4O4/c1-34-21-11-17(12-22(35-2)25(21)36-3)30-23-14-29-13-20(32-23)15-7-9-16(10-8-15)31-26(33)24-18(27)5-4-6-19(24)28/h4-14H,1-3H3,(H,30,32)(H,31,33)
InChIKeyCQZJLCDKSDLZBN-UHFFFAOYSA-N
XLogP5.44
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.48
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3-fluorophenyl)-[[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]carbamoyl]azanium
CID 148535392
1-[3-(trifluoromethyl)phenyl]-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea
CID 59343431
4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide
CID 87201830
3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol
CID 11595532
[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol
CID 11710382
N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide
CID 24879331
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
5-[[6-[4-[[hydroxy-[4-(trifluoromethyl)anilino]methyl]amino]phenyl]pyrazin-2-yl]amino]-2,3-dimethoxybenzaldehyde
CID 162603766
2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
CID 59343485
1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea
CID 59343415

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide (CID 66912565) is 2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide is COc1cc(Nc2cncc(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide?
The InChIKey is CQZJLCDKSDLZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O4/c1-34-21-11-17(12-22(35-2)25(21)36-3)30-23-14-29-13-20(32-23)15-7-9-16(10-8-15)31-26(33)24-18(27)5-4-6-19(24)28/h4-14H,1-3H3,(H,30,32)(H,31,33).
What are the key properties of 2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide has a molecular weight of 492.48 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide is sourced from PubChem (CID 66912565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).