[3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]methanol

C24H26N2O4 — CID 68953171

IUPAC[3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]methanol
SMILESCOc1ccc(N(Cc2cccnc2)c2cccc(CO)c2)cc1OC1CCCO1
InChIInChI=1S/C24H26N2O4/c1-28-22-10-9-21(14-23(22)30-24-8-4-12-29-24)26(16-19-6-3-11-25-15-19)20-7-2-5-18(13-20)17-27/h2-3,5-7,9-11,13-15,24,27H,4,8,12,16-17H2,1H3
InChIKeyMYEBUEAPWFTFBZ-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.44
Rot. Bonds8

About [3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]methanol

[3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]methanol (PubChem CID 68953171) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is [3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]methanol.

Molecular Properties

Compound Name[3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]methanol
PubChem CID68953171
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name[3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]methanol
SMILESCOc1ccc(N(Cc2cccnc2)c2cccc(CO)c2)cc1OC1CCCO1
InChIInChI=1S/C24H26N2O4/c1-28-22-10-9-21(14-23(22)30-24-8-4-12-29-24)26(16-19-6-3-11-25-15-19)20-7-2-5-18(13-20)17-27/h2-3,5-7,9-11,13-15,24,27H,4,8,12,16-17H2,1H3
InChIKeyMYEBUEAPWFTFBZ-UHFFFAOYSA-N
XLogP4.44
TPSA64.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]methanol?
The IUPAC name of [3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]methanol (CID 68953171) is [3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]methanol.
What is the SMILES notation for [3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]methanol?
The canonical SMILES for [3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]methanol is COc1ccc(N(Cc2cccnc2)c2cccc(CO)c2)cc1OC1CCCO1.
What is the InChIKey of [3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]methanol?
The InChIKey is MYEBUEAPWFTFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-28-22-10-9-21(14-23(22)30-24-8-4-12-29-24)26(16-19-6-3-11-25-15-19)20-7-2-5-18(13-20)17-27/h2-3,5-7,9-11,13-15,24,27H,4,8,12,16-17H2,1H3.
What are the key properties of [3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]methanol?
[3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]methanol has a molecular weight of 406.48 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]methanol is sourced from PubChem (CID 68953171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).