1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C21H23N3O3 — CID 55678850

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ncccc1NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C21H23N3O3/c1-2-27-21-18(7-4-10-22-21)23-20(26)16-12-19(25)24(13-16)17-9-8-14-5-3-6-15(14)11-17/h4,7-11,16H,2-3,5-6,12-13H2,1H3,(H,23,26)
InChIKeyFIVINIVHSSGGPS-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.96
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide

1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55678850) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55678850
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ncccc1NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C21H23N3O3/c1-2-27-21-18(7-4-10-22-21)23-20(26)16-12-19(25)24(13-16)17-9-8-14-5-3-6-15(14)11-17/h4,7-11,16H,2-3,5-6,12-13H2,1H3,(H,23,26)
InChIKeyFIVINIVHSSGGPS-UHFFFAOYSA-N
XLogP2.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxy-3-pyridinyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55678986
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46671621
1-(2,3-dihydro-1H-inden-5-yl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586076
1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 146124051
1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 139003437
(3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 34955432
1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 167780443
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098430
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 55678850) is 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ncccc1NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FIVINIVHSSGGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-27-21-18(7-4-10-22-21)23-20(26)16-12-19(25)24(13-16)17-9-8-14-5-3-6-15(14)11-17/h4,7-11,16H,2-3,5-6,12-13H2,1H3,(H,23,26).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55678850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).