N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide

C16H21N3O — CID 119313731

IUPACN-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)C1CCCN1
InChIInChI=1S/C16H21N3O/c1-11-12(13-5-2-3-6-14(13)19-11)8-10-18-16(20)15-7-4-9-17-15/h2-3,5-6,15,17,19H,4,7-10H2,1H3,(H,18,20)
InChIKeyHSQHSDYWIUGETD-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.89
Rot. Bonds4

About N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide

N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 119313731) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID119313731
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)C1CCCN1
InChIInChI=1S/C16H21N3O/c1-11-12(13-5-2-3-6-14(13)19-11)8-10-18-16(20)15-7-4-9-17-15/h2-3,5-6,15,17,19H,4,7-10H2,1H3,(H,18,20)
InChIKeyHSQHSDYWIUGETD-UHFFFAOYSA-N
XLogP1.89
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(2,6-dimethylphenyl)ethyl]piperidine-2-carboxamide
CID 119326210
1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 118776913
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide
CID 119320797
(2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 95141300
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83632123
1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72926271
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 109398586
N-(2-naphthalen-1-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119288851

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 119313731) is N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)C1CCCN1.
What is the InChIKey of N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is HSQHSDYWIUGETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-12(13-5-2-3-6-14(13)19-11)8-10-18-16(20)15-7-4-9-17-15/h2-3,5-6,15,17,19H,4,7-10H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide?
N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119313731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).