[3-methyl-4-[2-(pyridin-2-ylmethoxy)ethoxy]-2-pyridinyl]methanol

C15H18N2O3 — CID 15166220

IUPAC[3-methyl-4-[2-(pyridin-2-ylmethoxy)ethoxy]-2-pyridinyl]methanol
SMILESCc1c(OCCOCc2ccccn2)ccnc1CO
InChIInChI=1S/C15H18N2O3/c1-12-14(10-18)17-7-5-15(12)20-9-8-19-11-13-4-2-3-6-16-13/h2-7,18H,8-11H2,1H3
InChIKeyNTKOUBGVVALPAR-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.87
Rot. Bonds7

About [3-methyl-4-[2-(pyridin-2-ylmethoxy)ethoxy]-2-pyridinyl]methanol

[3-methyl-4-[2-(pyridin-2-ylmethoxy)ethoxy]-2-pyridinyl]methanol (PubChem CID 15166220) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is [3-methyl-4-[2-(pyridin-2-ylmethoxy)ethoxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-[2-(pyridin-2-ylmethoxy)ethoxy]-2-pyridinyl]methanol
PubChem CID15166220
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name[3-methyl-4-[2-(pyridin-2-ylmethoxy)ethoxy]-2-pyridinyl]methanol
SMILESCc1c(OCCOCc2ccccn2)ccnc1CO
InChIInChI=1S/C15H18N2O3/c1-12-14(10-18)17-7-5-15(12)20-9-8-19-11-13-4-2-3-6-16-13/h2-7,18H,8-11H2,1H3
InChIKeyNTKOUBGVVALPAR-UHFFFAOYSA-N
XLogP1.87
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-methyl-4-[2-(pyridin-2-ylmethoxy)ethoxy]-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[2-(pyridin-2-ylmethoxy)ethoxy]-2-pyridinyl]methanol?
The IUPAC name of [3-methyl-4-[2-(pyridin-2-ylmethoxy)ethoxy]-2-pyridinyl]methanol (CID 15166220) is [3-methyl-4-[2-(pyridin-2-ylmethoxy)ethoxy]-2-pyridinyl]methanol.
What is the SMILES notation for [3-methyl-4-[2-(pyridin-2-ylmethoxy)ethoxy]-2-pyridinyl]methanol?
The canonical SMILES for [3-methyl-4-[2-(pyridin-2-ylmethoxy)ethoxy]-2-pyridinyl]methanol is Cc1c(OCCOCc2ccccn2)ccnc1CO.
What is the InChIKey of [3-methyl-4-[2-(pyridin-2-ylmethoxy)ethoxy]-2-pyridinyl]methanol?
The InChIKey is NTKOUBGVVALPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-12-14(10-18)17-7-5-15(12)20-9-8-19-11-13-4-2-3-6-16-13/h2-7,18H,8-11H2,1H3.
What are the key properties of [3-methyl-4-[2-(pyridin-2-ylmethoxy)ethoxy]-2-pyridinyl]methanol?
[3-methyl-4-[2-(pyridin-2-ylmethoxy)ethoxy]-2-pyridinyl]methanol has a molecular weight of 274.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[2-(pyridin-2-ylmethoxy)ethoxy]-2-pyridinyl]methanol is sourced from PubChem (CID 15166220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).