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

C23H19N3O2 — CID 59374226

IUPAC[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenyl]methanol
SMILESOCc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1
InChIInChI=1S/C23H19N3O2/c27-16-17-5-3-6-18(15-17)21-7-4-14-25-23(21)28-20-11-9-19(10-12-20)26-22-8-1-2-13-24-22/h1-15,27H,16H2,(H,24,26)
InChIKeyWDQIABDPPBTPTL-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.17
Rot. Bonds6

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

[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenyl]methanol (PubChem CID 59374226) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is [3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenyl]methanol
PubChem CID59374226
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenyl]methanol
SMILESOCc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1
InChIInChI=1S/C23H19N3O2/c27-16-17-5-3-6-18(15-17)21-7-4-14-25-23(21)28-20-11-9-19(10-12-20)26-22-8-1-2-13-24-22/h1-15,27H,16H2,(H,24,26)
InChIKeyWDQIABDPPBTPTL-UHFFFAOYSA-N
XLogP5.17
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.17
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]phenyl]methanol?
The IUPAC name of [3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenyl]methanol (CID 59374226) is [3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenyl]methanol.
What is the SMILES notation for [3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenyl]methanol?
The canonical SMILES for [3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenyl]methanol is OCc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1.
What is the InChIKey of [3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenyl]methanol?
The InChIKey is WDQIABDPPBTPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-16-17-5-3-6-18(15-17)21-7-4-14-25-23(21)28-20-11-9-19(10-12-20)26-22-8-1-2-13-24-22/h1-15,27H,16H2,(H,24,26).
What are the key properties of [3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenyl]methanol?
[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]phenyl]methanol has a molecular weight of 369.42 g/mol, XLogP of 5.17, 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]phenyl]methanol is sourced from PubChem (CID 59374226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).