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

C21H22N4O2 — CID 46831505

IUPAC1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-3-ol
SMILESOC1CCCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C21H22N4O2/c26-17-5-4-14-25(15-17)19-6-3-13-23-21(19)27-18-10-8-16(9-11-18)24-20-7-1-2-12-22-20/h1-3,6-13,17,26H,4-5,14-15H2,(H,22,24)
InChIKeyCSZJRBHFDVKIKS-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.97
Rot. Bonds5

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

1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-3-ol (PubChem CID 46831505) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-3-ol
PubChem CID46831505
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-3-ol
SMILESOC1CCCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C21H22N4O2/c26-17-5-4-14-25(15-17)19-6-3-13-23-21(19)27-18-10-8-16(9-11-18)24-20-7-1-2-12-22-20/h1-3,6-13,17,26H,4-5,14-15H2,(H,22,24)
InChIKeyCSZJRBHFDVKIKS-UHFFFAOYSA-N
XLogP3.97
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-3-ol?
The IUPAC name of 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-3-ol (CID 46831505) is 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-3-ol?
The canonical SMILES for 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-3-ol is OC1CCCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1.
What is the InChIKey of 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-3-ol?
The InChIKey is CSZJRBHFDVKIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-17-5-4-14-25(15-17)19-6-3-13-23-21(19)27-18-10-8-16(9-11-18)24-20-7-1-2-12-22-20/h1-3,6-13,17,26H,4-5,14-15H2,(H,22,24).
What are the key properties of 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-3-ol?
1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-3-ol has a molecular weight of 362.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 46831505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).