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

C20H22N4O2 — CID 135965972

IUPAC2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol
SMILESCCCC(Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1cccnc1
InChIInChI=1S/C20H22N4O2/c1-3-5-16(15-6-4-9-21-11-15)23-20-13-22-12-17(24-20)14-7-8-18(25)19(10-14)26-2/h4,6-13,16,25H,3,5H2,1-2H3,(H,23,24)
InChIKeySXLALDHKZVXSQE-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.21
Rot. Bonds7

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

2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol (PubChem CID 135965972) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol
PubChem CID135965972
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol
SMILESCCCC(Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1cccnc1
InChIInChI=1S/C20H22N4O2/c1-3-5-16(15-6-4-9-21-11-15)23-20-13-22-12-17(24-20)14-7-8-18(25)19(10-14)26-2/h4,6-13,16,25H,3,5H2,1-2H3,(H,23,24)
InChIKeySXLALDHKZVXSQE-UHFFFAOYSA-N
XLogP4.21
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol?
The IUPAC name of 2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol (CID 135965972) is 2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol?
The canonical SMILES for 2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol is CCCC(Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1cccnc1.
What is the InChIKey of 2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol?
The InChIKey is SXLALDHKZVXSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-5-16(15-6-4-9-21-11-15)23-20-13-22-12-17(24-20)14-7-8-18(25)19(10-14)26-2/h4,6-13,16,25H,3,5H2,1-2H3,(H,23,24).
What are the key properties of 2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol?
2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol has a molecular weight of 350.42 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol is sourced from PubChem (CID 135965972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).