1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide

C18H25N3O — CID 20940028

IUPAC1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide
SMILESCc1c(C)n(C)c2ccc(C(=O)NCCN3CCCC3)cc12
InChIInChI=1S/C18H25N3O/c1-13-14(2)20(3)17-7-6-15(12-16(13)17)18(22)19-8-11-21-9-4-5-10-21/h6-7,12H,4-5,8-11H2,1-3H3,(H,19,22)
InChIKeyHPEDKJRZGPYAKJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.62
Rot. Bonds4

About 1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide

1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide (PubChem CID 20940028) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide.

Molecular Properties

Compound Name1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide
PubChem CID20940028
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide
SMILESCc1c(C)n(C)c2ccc(C(=O)NCCN3CCCC3)cc12
InChIInChI=1S/C18H25N3O/c1-13-14(2)20(3)17-7-6-15(12-16(13)17)18(22)19-8-11-21-9-4-5-10-21/h6-7,12H,4-5,8-11H2,1-3H3,(H,19,22)
InChIKeyHPEDKJRZGPYAKJ-UHFFFAOYSA-N
XLogP2.62
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
1-[(4-chlorophenyl)methyl]-2,3-dimethyl-N-(3-piperidin-1-ylpropyl)indole-5-carboxamide
CID 20940278
4-hydrazinyl-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63212242
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 18367611
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79725500
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108
3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103734735
3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide
CID 104627715

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide?
The IUPAC name of 1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide (CID 20940028) is 1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide.
What is the SMILES notation for 1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide?
The canonical SMILES for 1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide is Cc1c(C)n(C)c2ccc(C(=O)NCCN3CCCC3)cc12.
What is the InChIKey of 1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide?
The InChIKey is HPEDKJRZGPYAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-14(2)20(3)17-7-6-15(12-16(13)17)18(22)19-8-11-21-9-4-5-10-21/h6-7,12H,4-5,8-11H2,1-3H3,(H,19,22).
What are the key properties of 1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide?
1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide is sourced from PubChem (CID 20940028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).