1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide

C20H21N3O — CID 35358555

IUPAC1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2N2CCCC2)c2ccccc21
InChIInChI=1S/C20H21N3O/c1-22-14-16(15-8-2-4-10-18(15)22)20(24)21-17-9-3-5-11-19(17)23-12-6-7-13-23/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,21,24)
InChIKeyDDHXWPVVHRBXSP-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.03
Rot. Bonds3

About 1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide

1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide (PubChem CID 35358555) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide
PubChem CID35358555
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2N2CCCC2)c2ccccc21
InChIInChI=1S/C20H21N3O/c1-22-14-16(15-8-2-4-10-18(15)22)20(24)21-17-9-3-5-11-19(17)23-12-6-7-13-23/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,21,24)
InChIKeyDDHXWPVVHRBXSP-UHFFFAOYSA-N
XLogP4.03
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide
CID 55736422
3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide
CID 46435453
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
2-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 1308785
4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide
CID 60698285
N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide
CID 24676596
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
CID 87065455
CID 87065455
N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide
CID 55548838
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
CID 40716876
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide?
The IUPAC name of 1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide (CID 35358555) is 1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide is Cn1cc(C(=O)Nc2ccccc2N2CCCC2)c2ccccc21.
What is the InChIKey of 1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide?
The InChIKey is DDHXWPVVHRBXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-22-14-16(15-8-2-4-10-18(15)22)20(24)21-17-9-3-5-11-19(17)23-12-6-7-13-23/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,21,24).
What are the key properties of 1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide?
1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide is sourced from PubChem (CID 35358555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).