ethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate

C23H27N3O6 — CID 108755531

IUPACethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)C2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c1
InChIInChI=1S/C23H27N3O6/c1-4-32-23(29)16-7-9-24-20(12-16)25-22(28)17-13-21(27)26(14-17)10-8-15-5-6-18(30-2)19(11-15)31-3/h5-7,9,11-12,17H,4,8,10,13-14H2,1-3H3,(H,24,25,28)
InChIKeyRJDASZADCFGBQO-UHFFFAOYSA-N
MW441.48 g/mol
LogP2.31
Rot. Bonds9

About ethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate

ethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate (PubChem CID 108755531) has the molecular formula C23H27N3O6 and a molecular weight of 441.48 g/mol. Its IUPAC name is ethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate
PubChem CID108755531
Molecular FormulaC23H27N3O6
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Nameethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)C2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c1
InChIInChI=1S/C23H27N3O6/c1-4-32-23(29)16-7-9-24-20(12-16)25-22(28)17-13-21(27)26(14-17)10-8-15-5-6-18(30-2)19(11-15)31-3/h5-7,9,11-12,17H,4,8,10,13-14H2,1-3H3,(H,24,25,28)
InChIKeyRJDASZADCFGBQO-UHFFFAOYSA-N
XLogP2.31
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate
CID 108755533
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42989525
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42655350
ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate
CID 108755534
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4963915
(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 29131227
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43010153
methyl 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693183
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42997316
(3S)-N-(4-bromo-3-methylphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 2403428
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154053
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 24979390

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate (CID 108755531) is ethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NC(=O)C2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c1.
What is the InChIKey of ethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate?
The InChIKey is RJDASZADCFGBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6/c1-4-32-23(29)16-7-9-24-20(12-16)25-22(28)17-13-21(27)26(14-17)10-8-15-5-6-18(30-2)19(11-15)31-3/h5-7,9,11-12,17H,4,8,10,13-14H2,1-3H3,(H,24,25,28).
What are the key properties of ethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate?
ethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate has a molecular weight of 441.48 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 108755531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).