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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Related Compounds

5-methoxy-3-[(E)-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135985508
(S)-N-(4-methoxyphenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24771838
5-(4-Piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine
CID 118392559
5-Methyl-N-[4-[[3-[1-(methylsulfonyl)-4-piperidinyl]-2-pyridinyl]oxy]phenyl]-2-pyridinamine
CID 59373924
N-[4-[(3-isoquinolin-5-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
CID 59373927
2-Methyl-1-[4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]propan-1-one
CID 59373933
1-[3-[2-[4-[(5-Methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]-1-piperidinyl]ethanone
CID 59374199
Methyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]-1-piperidinecarboxylate
CID 59374325
4-[[2-(3-Methoxyphenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]phenol
CID 137661038
N-[(3-phenoxyphenyl)methyl]pyridin-2-amine
CID 28340293
N-[(3-phenoxyphenyl)methyl]isoquinolin-3-amine
CID 154632617
N-[4-[(3-Phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinamine
CID 46830611

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).