[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol

C22H23N3O2 — CID 67569571

IUPAC[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol
SMILESOCC1CCC(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C22H23N3O2/c26-15-16-6-7-17(14-16)20-4-3-13-24-22(20)27-19-10-8-18(9-11-19)25-21-5-1-2-12-23-21/h1-5,8-13,16-17,26H,6-7,14-15H2,(H,23,25)
InChIKeyNJDTZXUHOKCZAJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.89
Rot. Bonds6

About [3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol

[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol (PubChem CID 67569571) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol
PubChem CID67569571
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol
SMILESOCC1CCC(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C22H23N3O2/c26-15-16-6-7-17(14-16)20-4-3-13-24-22(20)27-19-10-8-18(9-11-19)25-21-5-1-2-12-23-21/h1-5,8-13,16-17,26H,6-7,14-15H2,(H,23,25)
InChIKeyNJDTZXUHOKCZAJ-UHFFFAOYSA-N
XLogP4.89
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol?
The IUPAC name of [3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol (CID 67569571) is [3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol.
What is the SMILES notation for [3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol?
The canonical SMILES for [3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol is OCC1CCC(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1.
What is the InChIKey of [3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol?
The InChIKey is NJDTZXUHOKCZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-15-16-6-7-17(14-16)20-4-3-13-24-22(20)27-19-10-8-18(9-11-19)25-21-5-1-2-12-23-21/h1-5,8-13,16-17,26H,6-7,14-15H2,(H,23,25).
What are the key properties of [3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol?
[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol has a molecular weight of 361.45 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol is sourced from PubChem (CID 67569571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).