3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide

C17H23N3O2 — CID 111444019

IUPAC3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCc1cccc2[nH]cc(CCNC(=O)N3CCC(CO)C3)c12
InChIInChI=1S/C17H23N3O2/c1-12-3-2-4-15-16(12)14(9-19-15)5-7-18-17(22)20-8-6-13(10-20)11-21/h2-4,9,13,19,21H,5-8,10-11H2,1H3,(H,18,22)
InChIKeyWGKMSSORDJZWJM-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.04
Rot. Bonds4

About 3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 111444019) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID111444019
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCc1cccc2[nH]cc(CCNC(=O)N3CCC(CO)C3)c12
InChIInChI=1S/C17H23N3O2/c1-12-3-2-4-15-16(12)14(9-19-15)5-7-18-17(22)20-8-6-13(10-20)11-21/h2-4,9,13,19,21H,5-8,10-11H2,1H3,(H,18,22)
InChIKeyWGKMSSORDJZWJM-UHFFFAOYSA-N
XLogP2.04
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 84597590
(2R)-2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]morpholine-4-carboxamide
CID 95760502
2-(cyclopropylmethylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774526
N-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 167756273
3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide
CID 109399149
N'-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111527226
N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 167750936
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 167808661
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111508554
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide (CID 111444019) is 3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide is Cc1cccc2[nH]cc(CCNC(=O)N3CCC(CO)C3)c12.
What is the InChIKey of 3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is WGKMSSORDJZWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-3-2-4-15-16(12)14(9-19-15)5-7-18-17(22)20-8-6-13(10-20)11-21/h2-4,9,13,19,21H,5-8,10-11H2,1H3,(H,18,22).
What are the key properties of 3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111444019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).