2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-5-carboxamide

C18H25N3O — CID 20939981

IUPAC2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCCN3CCCC3)cc2c1C
InChIInChI=1S/C18H25N3O/c1-13-14(2)20-17-7-6-15(12-16(13)17)18(22)19-8-5-11-21-9-3-4-10-21/h6-7,12,20H,3-5,8-11H2,1-2H3,(H,19,22)
InChIKeyKPDGQIGCTOXNMR-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.00
Rot. Bonds5

About 2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-5-carboxamide

2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-5-carboxamide (PubChem CID 20939981) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-5-carboxamide
PubChem CID20939981
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCCN3CCCC3)cc2c1C
InChIInChI=1S/C18H25N3O/c1-13-14(2)20-17-7-6-15(12-16(13)17)18(22)19-8-5-11-21-9-3-4-10-21/h6-7,12,20H,3-5,8-11H2,1-2H3,(H,19,22)
InChIKeyKPDGQIGCTOXNMR-UHFFFAOYSA-N
XLogP3.00
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-5-carboxamide (CID 20939981) is 2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NCCCN3CCCC3)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-5-carboxamide?
The InChIKey is KPDGQIGCTOXNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-14(2)20-17-7-6-15(12-16(13)17)18(22)19-8-5-11-21-9-3-4-10-21/h6-7,12,20H,3-5,8-11H2,1-2H3,(H,19,22).
What are the key properties of 2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-5-carboxamide?
2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-5-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 20939981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).