[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate

C20H24N2O5 — CID 2477265

IUPAC[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate
SMILESCCOc1ccc(CCNC(=O)COC(=O)c2ccncc2)cc1OCC
InChIInChI=1S/C20H24N2O5/c1-3-25-17-6-5-15(13-18(17)26-4-2)7-12-22-19(23)14-27-20(24)16-8-10-21-11-9-16/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,22,23)
InChIKeyVUPLIYXRCTXCQB-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.39
Rot. Bonds10

About [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate

[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate (PubChem CID 2477265) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate
PubChem CID2477265
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate
SMILESCCOc1ccc(CCNC(=O)COC(=O)c2ccncc2)cc1OCC
InChIInChI=1S/C20H24N2O5/c1-3-25-17-6-5-15(13-18(17)26-4-2)7-12-22-19(23)14-27-20(24)16-8-10-21-11-9-16/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,22,23)
InChIKeyVUPLIYXRCTXCQB-UHFFFAOYSA-N
XLogP2.39
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate?
The IUPAC name of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate (CID 2477265) is [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate.
What is the SMILES notation for [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate?
The canonical SMILES for [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate is CCOc1ccc(CCNC(=O)COC(=O)c2ccncc2)cc1OCC.
What is the InChIKey of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate?
The InChIKey is VUPLIYXRCTXCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-3-25-17-6-5-15(13-18(17)26-4-2)7-12-22-19(23)14-27-20(24)16-8-10-21-11-9-16/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,22,23).
What are the key properties of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate?
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate is sourced from PubChem (CID 2477265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).