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

C21H23N5O4 — CID 24879331

IUPACN-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide
SMILESCOc1cc(Nc2cncc(Nc3ccc(NC(C)=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C21H23N5O4/c1-13(27)23-14-5-7-15(8-6-14)24-19-11-22-12-20(26-19)25-16-9-17(28-2)21(30-4)18(10-16)29-3/h5-12H,1-4H3,(H,23,27)(H2,24,25,26)
InChIKeyCDCSUDFIXLBRCN-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.95
Rot. Bonds8

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

N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide (PubChem CID 24879331) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide
PubChem CID24879331
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC NameN-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide
SMILESCOc1cc(Nc2cncc(Nc3ccc(NC(C)=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C21H23N5O4/c1-13(27)23-14-5-7-15(8-6-14)24-19-11-22-12-20(26-19)25-16-9-17(28-2)21(30-4)18(10-16)29-3/h5-12H,1-4H3,(H,23,27)(H2,24,25,26)
InChIKeyCDCSUDFIXLBRCN-UHFFFAOYSA-N
XLogP3.95
TPSA106.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 11609049
1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea
CID 59343415
N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide
CID 155070797
methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate
CID 66456378
2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide
CID 66912565
methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate
CID 112989491
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
1-[3-(trifluoromethyl)phenyl]-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea
CID 59343431
N-[4-[1-methyl-2,5-dioxo-4-(3,4,5-trimethoxyanilino)pyrrol-3-yl]phenyl]acetamide
CID 110562716
2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine
CID 143250214
(3-fluorophenyl)-[[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]carbamoyl]azanium
CID 148535392

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide (CID 24879331) is N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide is COc1cc(Nc2cncc(Nc3ccc(NC(C)=O)cc3)n2)cc(OC)c1OC.
What is the InChIKey of N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide?
The InChIKey is CDCSUDFIXLBRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-13(27)23-14-5-7-15(8-6-14)24-19-11-22-12-20(26-19)25-16-9-17(28-2)21(30-4)18(10-16)29-3/h5-12H,1-4H3,(H,23,27)(H2,24,25,26).
What are the key properties of N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide?
N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide has a molecular weight of 409.45 g/mol, XLogP of 3.95, 8 rotatable bonds, 3 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]amino]phenyl]acetamide is sourced from PubChem (CID 24879331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).