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

C17H17NO6 — CID 2362683

IUPAC[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate
SMILESCOc1cc(C(=O)COC(=O)c2ccncc2)cc(OC)c1OC
InChIInChI=1S/C17H17NO6/c1-21-14-8-12(9-15(22-2)16(14)23-3)13(19)10-24-17(20)11-4-6-18-7-5-11/h4-9H,10H2,1-3H3
InChIKeyWZGWOZAXKLGILU-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.15
Rot. Bonds7

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

[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate (PubChem CID 2362683) has the molecular formula C17H17NO6 and a molecular weight of 331.32 g/mol. Its IUPAC name is [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate
PubChem CID2362683
Molecular FormulaC17H17NO6
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate
SMILESCOc1cc(C(=O)COC(=O)c2ccncc2)cc(OC)c1OC
InChIInChI=1S/C17H17NO6/c1-21-14-8-12(9-15(22-2)16(14)23-3)13(19)10-24-17(20)11-4-6-18-7-5-11/h4-9H,10H2,1-3H3
InChIKeyWZGWOZAXKLGILU-UHFFFAOYSA-N
XLogP2.15
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-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] pyridine-4-carboxylate?
The IUPAC name of [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate (CID 2362683) is [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate?
The canonical SMILES for [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate is COc1cc(C(=O)COC(=O)c2ccncc2)cc(OC)c1OC.
What is the InChIKey of [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate?
The InChIKey is WZGWOZAXKLGILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6/c1-21-14-8-12(9-15(22-2)16(14)23-3)13(19)10-24-17(20)11-4-6-18-7-5-11/h4-9H,10H2,1-3H3.
What are the key properties of [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate?
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate has a molecular weight of 331.32 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate is sourced from PubChem (CID 2362683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).