[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-ethoxypyridine-3-carboxylate

C19H21NO7 — CID 2467632

IUPAC[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H21NO7/c1-5-26-18-13(7-6-8-20-18)19(22)27-11-14(21)12-9-15(23-2)17(25-4)16(10-12)24-3/h6-10H,5,11H2,1-4H3
InChIKeyYWGOPEGGEGNDLS-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.55
Rot. Bonds9

About [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-ethoxypyridine-3-carboxylate

[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 2467632) has the molecular formula C19H21NO7 and a molecular weight of 375.38 g/mol. Its IUPAC name is [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID2467632
Molecular FormulaC19H21NO7
Molecular Weight375.38 g/mol
Exact Mass375.13
IUPAC Name[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H21NO7/c1-5-26-18-13(7-6-8-20-18)19(22)27-11-14(21)12-9-15(23-2)17(25-4)16(10-12)24-3/h6-10H,5,11H2,1-4H3
InChIKeyYWGOPEGGEGNDLS-UHFFFAOYSA-N
XLogP2.55
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-ethoxypyridine-3-carboxylate 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 [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-ethoxypyridine-3-carboxylate (CID 2467632) is [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is YWGOPEGGEGNDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO7/c1-5-26-18-13(7-6-8-20-18)19(22)27-11-14(21)12-9-15(23-2)17(25-4)16(10-12)24-3/h6-10H,5,11H2,1-4H3.
What are the key properties of [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-ethoxypyridine-3-carboxylate?
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 375.38 g/mol, XLogP of 2.55, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2467632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).