3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide

C22H25N3O — CID 56559008

IUPAC3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
SMILESCC1CCN(c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)C1
InChIInChI=1S/C22H25N3O/c1-16-12-13-25(15-16)19-9-7-18(8-10-19)24-22(26)11-6-17-14-23-21-5-3-2-4-20(17)21/h2-5,7-10,14,16,23H,6,11-13,15H2,1H3,(H,24,26)
InChIKeyIIIAMBCGGIHAST-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.59
Rot. Bonds5

About 3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide

3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide (PubChem CID 56559008) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
PubChem CID56559008
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
SMILESCC1CCN(c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)C1
InChIInChI=1S/C22H25N3O/c1-16-12-13-25(15-16)19-9-7-18(8-10-19)24-22(26)11-6-17-14-23-21-5-3-2-4-20(17)21/h2-5,7-10,14,16,23H,6,11-13,15H2,1H3,(H,24,26)
InChIKeyIIIAMBCGGIHAST-UHFFFAOYSA-N
XLogP4.59
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide
CID 112985524
3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide
CID 131909124
3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556229
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide
CID 4840684
3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 27364914
N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 42021517
2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide
CID 56557702
2-[4-[3-(1H-indol-3-yl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 167894479
4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 46680700
2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113209558
N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide
CID 20579503
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-naphthalen-1-ylpropanamide
CID 71809665

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide (CID 56559008) is 3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide is CC1CCN(c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)C1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is IIIAMBCGGIHAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-12-13-25(15-16)19-9-7-18(8-10-19)24-22(26)11-6-17-14-23-21-5-3-2-4-20(17)21/h2-5,7-10,14,16,23H,6,11-13,15H2,1H3,(H,24,26).
What are the key properties of 3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 56559008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).