N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxynaphthalen-1-yl]acetamide

C25H24N4O5 — CID 24879328

IUPACN-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxynaphthalen-1-yl]acetamide
SMILESCOc1cc(Nc2cncc(Oc3ccc(NC(C)=O)c4ccccc34)n2)cc(OC)c1OC
InChIInChI=1S/C25H24N4O5/c1-15(30)27-19-9-10-20(18-8-6-5-7-17(18)19)34-24-14-26-13-23(29-24)28-16-11-21(31-2)25(33-4)22(12-16)32-3/h5-14H,1-4H3,(H,27,30)(H,28,29)
InChIKeyHOLKOZRNWNJDFB-UHFFFAOYSA-N
MW460.49 g/mol
LogP5.15
Rot. Bonds8

About N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxynaphthalen-1-yl]acetamide

N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxynaphthalen-1-yl]acetamide (PubChem CID 24879328) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxynaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxynaphthalen-1-yl]acetamide
PubChem CID24879328
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC NameN-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxynaphthalen-1-yl]acetamide
SMILESCOc1cc(Nc2cncc(Oc3ccc(NC(C)=O)c4ccccc34)n2)cc(OC)c1OC
InChIInChI=1S/C25H24N4O5/c1-15(30)27-19-9-10-20(18-8-6-5-7-17(18)19)34-24-14-26-13-23(29-24)28-16-11-21(31-2)25(33-4)22(12-16)32-3/h5-14H,1-4H3,(H,27,30)(H,28,29)
InChIKeyHOLKOZRNWNJDFB-UHFFFAOYSA-N
XLogP5.15
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.49
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxynaphthalen-1-yl]acetamide?
The IUPAC name of N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxynaphthalen-1-yl]acetamide (CID 24879328) is N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxynaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxynaphthalen-1-yl]acetamide?
The canonical SMILES for N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxynaphthalen-1-yl]acetamide is COc1cc(Nc2cncc(Oc3ccc(NC(C)=O)c4ccccc34)n2)cc(OC)c1OC.
What is the InChIKey of N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxynaphthalen-1-yl]acetamide?
The InChIKey is HOLKOZRNWNJDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-15(30)27-19-9-10-20(18-8-6-5-7-17(18)19)34-24-14-26-13-23(29-24)28-16-11-21(31-2)25(33-4)22(12-16)32-3/h5-14H,1-4H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxynaphthalen-1-yl]acetamide?
N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxynaphthalen-1-yl]acetamide has a molecular weight of 460.49 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 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]oxynaphthalen-1-yl]acetamide is sourced from PubChem (CID 24879328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).