N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C16H19N3O2 — CID 45172641

IUPACN-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)C1CNC(=O)C1
InChIInChI=1S/C16H19N3O2/c1-11-8-12-4-2-3-5-14(12)19(11)7-6-17-16(21)13-9-15(20)18-10-13/h2-5,8,13H,6-7,9-10H2,1H3,(H,17,21)(H,18,20)
InChIKeyARXPSSPWRFSBLT-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.20
Rot. Bonds4

About N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 45172641) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID45172641
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)C1CNC(=O)C1
InChIInChI=1S/C16H19N3O2/c1-11-8-12-4-2-3-5-14(12)19(11)7-6-17-16(21)13-9-15(20)18-10-13/h2-5,8,13H,6-7,9-10H2,1H3,(H,17,21)(H,18,20)
InChIKeyARXPSSPWRFSBLT-UHFFFAOYSA-N
XLogP1.20
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154911026
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
N-[2-(2-methylindol-1-yl)ethyl]-2,2-diphenylacetamide
CID 3473428
N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741001
2-(2-methylindol-1-yl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62491076
1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
CID 90680556
(2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 118782792
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 131925524
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3311967
4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3314807
4-bromo-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 4144460
1-[2-(2-methylindol-1-yl)ethyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969488

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 45172641) is N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc2ccccc2n1CCNC(=O)C1CNC(=O)C1.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ARXPSSPWRFSBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-8-12-4-2-3-5-14(12)19(11)7-6-17-16(21)13-9-15(20)18-10-13/h2-5,8,13H,6-7,9-10H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 45172641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).