1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C21H30N4O2 — CID 56875729

IUPAC1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1[nH]c2ccc(CNC(=O)C3CC(=O)N(CCN(C)C)C3)cc2c1C
InChIInChI=1S/C21H30N4O2/c1-5-18-14(2)17-10-15(6-7-19(17)23-18)12-22-21(27)16-11-20(26)25(13-16)9-8-24(3)4/h6-7,10,16,23H,5,8-9,11-13H2,1-4H3,(H,22,27)
InChIKeyOOFOBHHJIRSXAK-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.07
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 56875729) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID56875729
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1[nH]c2ccc(CNC(=O)C3CC(=O)N(CCN(C)C)C3)cc2c1C
InChIInChI=1S/C21H30N4O2/c1-5-18-14(2)17-10-15(6-7-19(17)23-18)12-22-21(27)16-11-20(26)25(13-16)9-8-24(3)4/h6-7,10,16,23H,5,8-9,11-13H2,1-4H3,(H,22,27)
InChIKeyOOFOBHHJIRSXAK-UHFFFAOYSA-N
XLogP2.07
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353454
1-[2-(dimethylamino)ethyl]-N-[(3-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 72924619
(3R)-1-[2-(dimethylamino)ethyl]-N-[(3-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97206956
(3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 95237254
(3R)-1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97198038
(3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide
CID 95563364
(3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97192259
(3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 97200087
(3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 124508095
N-[(2-chloro-4-fluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 72939363
(3R)-1-[2-(dimethylamino)ethyl]-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97207589
1-[2-(dimethylamino)ethyl]-5-oxo-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 131927188

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 56875729) is 1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CCc1[nH]c2ccc(CNC(=O)C3CC(=O)N(CCN(C)C)C3)cc2c1C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OOFOBHHJIRSXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-5-18-14(2)17-10-15(6-7-19(17)23-18)12-22-21(27)16-11-20(26)25(13-16)9-8-24(3)4/h6-7,10,16,23H,5,8-9,11-13H2,1-4H3,(H,22,27).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 56875729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).