2-ethoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol

C21H24N4O2 — CID 135966043

IUPAC2-ethoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol
SMILESCCCC(Nc1cncc(-c2ccc(O)c(OCC)c2)n1)c1cccnc1
InChIInChI=1S/C21H24N4O2/c1-3-6-17(16-7-5-10-22-12-16)24-21-14-23-13-18(25-21)15-8-9-19(26)20(11-15)27-4-2/h5,7-14,17,26H,3-4,6H2,1-2H3,(H,24,25)
InChIKeyOLZXISVOEOHHJE-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.60
Rot. Bonds8

About 2-ethoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol

2-ethoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol (PubChem CID 135966043) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-ethoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol
PubChem CID135966043
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-ethoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol
SMILESCCCC(Nc1cncc(-c2ccc(O)c(OCC)c2)n1)c1cccnc1
InChIInChI=1S/C21H24N4O2/c1-3-6-17(16-7-5-10-22-12-16)24-21-14-23-13-18(25-21)15-8-9-19(26)20(11-15)27-4-2/h5,7-14,17,26H,3-4,6H2,1-2H3,(H,24,25)
InChIKeyOLZXISVOEOHHJE-UHFFFAOYSA-N
XLogP4.60
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol?
The IUPAC name of 2-ethoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol (CID 135966043) is 2-ethoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol.
What is the SMILES notation for 2-ethoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol?
The canonical SMILES for 2-ethoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol is CCCC(Nc1cncc(-c2ccc(O)c(OCC)c2)n1)c1cccnc1.
What is the InChIKey of 2-ethoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol?
The InChIKey is OLZXISVOEOHHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-6-17(16-7-5-10-22-12-16)24-21-14-23-13-18(25-21)15-8-9-19(26)20(11-15)27-4-2/h5,7-14,17,26H,3-4,6H2,1-2H3,(H,24,25).
What are the key properties of 2-ethoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol?
2-ethoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol has a molecular weight of 364.45 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol is sourced from PubChem (CID 135966043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).