2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol

C22H25N5O2 — CID 46831796

IUPAC2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C22H25N5O2/c28-17-16-26-12-14-27(15-13-26)20-4-3-11-24-22(20)29-19-8-6-18(7-9-19)25-21-5-1-2-10-23-21/h1-11,28H,12-17H2,(H,23,25)
InChIKeyIXXZWVVVDONLGV-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.13
Rot. Bonds7

About 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol

2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol (PubChem CID 46831796) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol
PubChem CID46831796
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C22H25N5O2/c28-17-16-26-12-14-27(15-13-26)20-4-3-11-24-22(20)29-19-8-6-18(7-9-19)25-21-5-1-2-10-23-21/h1-11,28H,12-17H2,(H,23,25)
InChIKeyIXXZWVVVDONLGV-UHFFFAOYSA-N
XLogP3.13
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169
N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3237037
2-N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-N-phenylpyrimidine-2,4-diamine
CID 6538985
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 49865599
[1-[3-[4-[(1-Methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
CID 71452430
N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 762653
N-(2-ethoxyphenyl)-4-(2-(2-ethoxyphenylamino)pyridin-4-yl)pyridin-2-amine
CID 10477561
3-ethoxy-N-(6-methylpyridin-2-yl)-5-(pyridin-3-yloxy)pyridin-2-amine
CID 11381681
(S)-N-(4-methoxyphenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24771838
N2-(3,5-dimorpholinophenyl)-N4-(5-methoxypyridin-3-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645478

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol (CID 46831796) is 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol is OCCN1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1.
What is the InChIKey of 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol?
The InChIKey is IXXZWVVVDONLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-17-16-26-12-14-27(15-13-26)20-4-3-11-24-22(20)29-19-8-6-18(7-9-19)25-21-5-1-2-10-23-21/h1-11,28H,12-17H2,(H,23,25).
What are the key properties of 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol?
2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol has a molecular weight of 391.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 46831796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).