1-[2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethyl]pyridin-2-one;hydrate

C18H26N2O6 — CID 67920673

IUPAC1-[2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethyl]pyridin-2-one;hydrate
SMILESO.O=c1ccccn1CCOCCOCCOCCOc1ccccn1
InChIInChI=1S/C18H24N2O5.H2O/c21-18-6-2-4-8-20(18)9-10-22-11-12-23-13-14-24-15-16-25-17-5-1-3-7-19-17;/h1-8H,9-16H2;1H2
InChIKeyMYQSGRALRIHBKN-UHFFFAOYSA-N
MW366.41 g/mol
LogP0.55
Rot. Bonds13

About 1-[2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethyl]pyridin-2-one;hydrate

1-[2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethyl]pyridin-2-one;hydrate (PubChem CID 67920673) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethyl]pyridin-2-one;hydrate.

Molecular Properties

Compound Name1-[2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethyl]pyridin-2-one;hydrate
PubChem CID67920673
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Name1-[2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethyl]pyridin-2-one;hydrate
SMILESO.O=c1ccccn1CCOCCOCCOCCOc1ccccn1
InChIInChI=1S/C18H24N2O5.H2O/c21-18-6-2-4-8-20(18)9-10-22-11-12-23-13-14-24-15-16-25-17-5-1-3-7-19-17;/h1-8H,9-16H2;1H2
InChIKeyMYQSGRALRIHBKN-UHFFFAOYSA-N
XLogP0.55
TPSA103.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethyl]pyridin-2-one;hydrate 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 1-[2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethyl]pyridin-2-one;hydrate?
The IUPAC name of 1-[2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethyl]pyridin-2-one;hydrate (CID 67920673) is 1-[2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethyl]pyridin-2-one;hydrate.
What is the SMILES notation for 1-[2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethyl]pyridin-2-one;hydrate?
The canonical SMILES for 1-[2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethyl]pyridin-2-one;hydrate is O.O=c1ccccn1CCOCCOCCOCCOc1ccccn1.
What is the InChIKey of 1-[2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethyl]pyridin-2-one;hydrate?
The InChIKey is MYQSGRALRIHBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5.H2O/c21-18-6-2-4-8-20(18)9-10-22-11-12-23-13-14-24-15-16-25-17-5-1-3-7-19-17;/h1-8H,9-16H2;1H2.
What are the key properties of 1-[2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethyl]pyridin-2-one;hydrate?
1-[2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethyl]pyridin-2-one;hydrate has a molecular weight of 366.41 g/mol, XLogP of 0.55, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-pyridin-2-yloxyethoxy)ethoxy]ethoxy]ethyl]pyridin-2-one;hydrate is sourced from PubChem (CID 67920673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).