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

C21H30N4O2 — CID 46969619

IUPAC1-[2-(dimethylamino)ethyl]-N-(2-methyl-1-propylindol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCn1c(C)cc2cc(NC(=O)C3CC(=O)N(CCN(C)C)C3)ccc21
InChIInChI=1S/C21H30N4O2/c1-5-8-25-15(2)11-16-12-18(6-7-19(16)25)22-21(27)17-13-20(26)24(14-17)10-9-23(3)4/h6-7,11-12,17H,5,8-10,13-14H2,1-4H3,(H,22,27)
InChIKeyOVJHMNISNJAZRE-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.71
Rot. Bonds7

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

1-[2-(dimethylamino)ethyl]-N-(2-methyl-1-propylindol-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46969619) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-(2-methyl-1-propylindol-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-(2-methyl-1-propylindol-5-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46969619
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-[2-(dimethylamino)ethyl]-N-(2-methyl-1-propylindol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCn1c(C)cc2cc(NC(=O)C3CC(=O)N(CCN(C)C)C3)ccc21
InChIInChI=1S/C21H30N4O2/c1-5-8-25-15(2)11-16-12-18(6-7-19(16)25)22-21(27)17-13-20(26)24(14-17)10-9-23(3)4/h6-7,11-12,17H,5,8-10,13-14H2,1-4H3,(H,22,27)
InChIKeyOVJHMNISNJAZRE-UHFFFAOYSA-N
XLogP2.71
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(2-methyl-1-propylindol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(2-methyl-1-propylindol-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 46969619) is 1-[2-(dimethylamino)ethyl]-N-(2-methyl-1-propylindol-5-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-(2-methyl-1-propylindol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-(2-methyl-1-propylindol-5-yl)-5-oxopyrrolidine-3-carboxamide is CCCn1c(C)cc2cc(NC(=O)C3CC(=O)N(CCN(C)C)C3)ccc21.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-(2-methyl-1-propylindol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OVJHMNISNJAZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-5-8-25-15(2)11-16-12-18(6-7-19(16)25)22-21(27)17-13-20(26)24(14-17)10-9-23(3)4/h6-7,11-12,17H,5,8-10,13-14H2,1-4H3,(H,22,27).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-(2-methyl-1-propylindol-5-yl)-5-oxopyrrolidine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-(2-methyl-1-propylindol-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-(2-methyl-1-propylindol-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46969619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).