1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-3-ol

C20H21N5O2 — CID 46832330

IUPAC1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-3-ol
SMILESOC1CCCN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C20H21N5O2/c26-16-4-3-13-25(14-16)19-20(23-12-11-22-19)27-17-8-6-15(7-9-17)24-18-5-1-2-10-21-18/h1-2,5-12,16,26H,3-4,13-14H2,(H,21,24)
InChIKeyJXMJVRWUTVYLQZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.37
Rot. Bonds5

About 1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-3-ol

1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-3-ol (PubChem CID 46832330) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-3-ol
PubChem CID46832330
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-3-ol
SMILESOC1CCCN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C20H21N5O2/c26-16-4-3-13-25(14-16)19-20(23-12-11-22-19)27-17-8-6-15(7-9-17)24-18-5-1-2-10-21-18/h1-2,5-12,16,26H,3-4,13-14H2,(H,21,24)
InChIKeyJXMJVRWUTVYLQZ-UHFFFAOYSA-N
XLogP3.37
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-3-ol?
The IUPAC name of 1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-3-ol (CID 46832330) is 1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-3-ol is OC1CCCN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1.
What is the InChIKey of 1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-3-ol?
The InChIKey is JXMJVRWUTVYLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-16-4-3-13-25(14-16)19-20(23-12-11-22-19)27-17-8-6-15(7-9-17)24-18-5-1-2-10-21-18/h1-2,5-12,16,26H,3-4,13-14H2,(H,21,24).
What are the key properties of 1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-3-ol?
1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-3-ol has a molecular weight of 363.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-3-ol is sourced from PubChem (CID 46832330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).