N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide

C17H19N3O — CID 78799397

IUPACN-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCCCn1ccc2ccccc21
InChIInChI=1S/C17H19N3O/c1-19-11-4-8-16(19)17(21)18-10-5-12-20-13-9-14-6-2-3-7-15(14)20/h2-4,6-9,11,13H,5,10,12H2,1H3,(H,18,21)
InChIKeyMFZBBBAIGGIBES-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.80
Rot. Bonds5

About N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide

N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide (PubChem CID 78799397) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
PubChem CID78799397
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCCCn1ccc2ccccc21
InChIInChI=1S/C17H19N3O/c1-19-11-4-8-16(19)17(21)18-10-5-12-20-13-9-14-6-2-3-7-15(14)20/h2-4,6-9,11,13H,5,10,12H2,1H3,(H,18,21)
InChIKeyMFZBBBAIGGIBES-UHFFFAOYSA-N
XLogP2.80
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111341750
methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate
CID 134050299
N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide
CID 62845640
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 2489290
2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
CID 25355760
4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
CID 22237561
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide
CID 141062303
1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine
CID 110941078

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide (CID 78799397) is N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCCCn1ccc2ccccc21.
What is the InChIKey of N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is MFZBBBAIGGIBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-19-11-4-8-16(19)17(21)18-10-5-12-20-13-9-14-6-2-3-7-15(14)20/h2-4,6-9,11,13H,5,10,12H2,1H3,(H,18,21).
What are the key properties of N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide?
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 78799397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).