6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

C25H26N4O4 — CID 146511671

IUPAC6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCCNc1cccc2c(Oc3cncc(Nc4cc(OC)c(OC)c(OC)c4)n3)cccc12
InChIInChI=1S/C25H26N4O4/c1-5-27-19-10-6-9-18-17(19)8-7-11-20(18)33-24-15-26-14-23(29-24)28-16-12-21(30-2)25(32-4)22(13-16)31-3/h6-15,27H,5H2,1-4H3,(H,28,29)
InChIKeyYASNHSBFNZMMHS-UHFFFAOYSA-N
MW446.51 g/mol
LogP5.62
Rot. Bonds9

About 6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (PubChem CID 146511671) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
PubChem CID146511671
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCCNc1cccc2c(Oc3cncc(Nc4cc(OC)c(OC)c(OC)c4)n3)cccc12
InChIInChI=1S/C25H26N4O4/c1-5-27-19-10-6-9-18-17(19)8-7-11-20(18)33-24-15-26-14-23(29-24)28-16-12-21(30-2)25(32-4)22(13-16)31-3/h6-15,27H,5H2,1-4H3,(H,28,29)
InChIKeyYASNHSBFNZMMHS-UHFFFAOYSA-N
XLogP5.62
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The IUPAC name of 6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (CID 146511671) is 6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is CCNc1cccc2c(Oc3cncc(Nc4cc(OC)c(OC)c(OC)c4)n3)cccc12.
What is the InChIKey of 6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The InChIKey is YASNHSBFNZMMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-5-27-19-10-6-9-18-17(19)8-7-11-20(18)33-24-15-26-14-23(29-24)28-16-12-21(30-2)25(32-4)22(13-16)31-3/h6-15,27H,5H2,1-4H3,(H,28,29).
What are the key properties of 6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine has a molecular weight of 446.51 g/mol, XLogP of 5.62, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(ethylamino)naphthalen-1-yl]oxy-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 146511671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).