2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol

C22H25N5O2 — CID 46831796

IUPAC2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C22H25N5O2/c28-17-16-26-12-14-27(15-13-26)20-4-3-11-24-22(20)29-19-8-6-18(7-9-19)25-21-5-1-2-10-23-21/h1-11,28H,12-17H2,(H,23,25)
InChIKeyIXXZWVVVDONLGV-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.13
Rot. Bonds7

About 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol

2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol (PubChem CID 46831796) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol
PubChem CID46831796
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C22H25N5O2/c28-17-16-26-12-14-27(15-13-26)20-4-3-11-24-22(20)29-19-8-6-18(7-9-19)25-21-5-1-2-10-23-21/h1-11,28H,12-17H2,(H,23,25)
InChIKeyIXXZWVVVDONLGV-UHFFFAOYSA-N
XLogP3.13
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol (CID 46831796) is 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol is OCCN1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1.
What is the InChIKey of 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol?
The InChIKey is IXXZWVVVDONLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-17-16-26-12-14-27(15-13-26)20-4-3-11-24-22(20)29-19-8-6-18(7-9-19)25-21-5-1-2-10-23-21/h1-11,28H,12-17H2,(H,23,25).
What are the key properties of 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol?
2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol has a molecular weight of 391.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 46831796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).