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

C23H25N5O5 — CID 11583265

IUPACN-[3-[5-acetamido-6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
SMILESCOc1cc(Nc2nc(-c3cccc(NC(C)=O)c3)cnc2NC(C)=O)cc(OC)c1OC
InChIInChI=1S/C23H25N5O5/c1-13(29)25-16-8-6-7-15(9-16)18-12-24-22(26-14(2)30)23(28-18)27-17-10-19(31-3)21(33-5)20(11-17)32-4/h6-12H,1-5H3,(H,25,29)(H,27,28)(H,24,26,30)
InChIKeyFOLDYQZDOCDFHZ-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.83
Rot. Bonds8

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

N-[3-[5-acetamido-6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide (PubChem CID 11583265) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is N-[3-[5-acetamido-6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-acetamido-6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
PubChem CID11583265
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC NameN-[3-[5-acetamido-6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
SMILESCOc1cc(Nc2nc(-c3cccc(NC(C)=O)c3)cnc2NC(C)=O)cc(OC)c1OC
InChIInChI=1S/C23H25N5O5/c1-13(29)25-16-8-6-7-15(9-16)18-12-24-22(26-14(2)30)23(28-18)27-17-10-19(31-3)21(33-5)20(11-17)32-4/h6-12H,1-5H3,(H,25,29)(H,27,28)(H,24,26,30)
InChIKeyFOLDYQZDOCDFHZ-UHFFFAOYSA-N
XLogP3.83
TPSA123.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-acetamido-6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-acetamido-6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide (CID 11583265) is N-[3-[5-acetamido-6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-acetamido-6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-acetamido-6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide is COc1cc(Nc2nc(-c3cccc(NC(C)=O)c3)cnc2NC(C)=O)cc(OC)c1OC.
What is the InChIKey of N-[3-[5-acetamido-6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide?
The InChIKey is FOLDYQZDOCDFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-13(29)25-16-8-6-7-15(9-16)18-12-24-22(26-14(2)30)23(28-18)27-17-10-19(31-3)21(33-5)20(11-17)32-4/h6-12H,1-5H3,(H,25,29)(H,27,28)(H,24,26,30).
What are the key properties of N-[3-[5-acetamido-6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide?
N-[3-[5-acetamido-6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 451.48 g/mol, XLogP of 3.83, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-acetamido-6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 11583265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).