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

C22H17N3O2 — CID 59374128

IUPAC3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenol
SMILESOc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1
InChIInChI=1S/C22H17N3O2/c26-18-6-3-5-16(15-18)20-7-4-14-24-22(20)27-19-11-9-17(10-12-19)25-21-8-1-2-13-23-21/h1-15,26H,(H,23,25)
InChIKeyFNRLXEOXNCVTIG-UHFFFAOYSA-N
MW355.40 g/mol
LogP5.39
Rot. Bonds5

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

3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenol (PubChem CID 59374128) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenol.

Molecular Properties

Compound Name3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenol
PubChem CID59374128
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenol
SMILESOc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1
InChIInChI=1S/C22H17N3O2/c26-18-6-3-5-16(15-18)20-7-4-14-24-22(20)27-19-11-9-17(10-12-19)25-21-8-1-2-13-23-21/h1-15,26H,(H,23,25)
InChIKeyFNRLXEOXNCVTIG-UHFFFAOYSA-N
XLogP5.39
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 55.39
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]phenol?
The IUPAC name of 3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenol (CID 59374128) is 3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenol.
What is the SMILES notation for 3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenol?
The canonical SMILES for 3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenol is Oc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1.
What is the InChIKey of 3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenol?
The InChIKey is FNRLXEOXNCVTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-18-6-3-5-16(15-18)20-7-4-14-24-22(20)27-19-11-9-17(10-12-19)25-21-8-1-2-13-23-21/h1-15,26H,(H,23,25).
What are the key properties of 3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenol?
3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenol has a molecular weight of 355.40 g/mol, XLogP of 5.39, 5 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]phenol is sourced from PubChem (CID 59374128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).