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

C20H24N4O — CID 167756273

IUPACN-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cccc2[nH]cc(CCNC(=O)N3CCCC3c3ccc[nH]3)c12
InChIInChI=1S/C20H24N4O/c1-14-5-2-6-17-19(14)15(13-23-17)9-11-22-20(25)24-12-4-8-18(24)16-7-3-10-21-16/h2-3,5-7,10,13,18,21,23H,4,8-9,11-12H2,1H3,(H,22,25)
InChIKeyQJNGPOZXQRVKEB-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.89
Rot. Bonds4

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

N-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 167756273) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
PubChem CID167756273
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cccc2[nH]cc(CCNC(=O)N3CCCC3c3ccc[nH]3)c12
InChIInChI=1S/C20H24N4O/c1-14-5-2-6-17-19(14)15(13-23-17)9-11-22-20(25)24-12-4-8-18(24)16-7-3-10-21-16/h2-3,5-7,10,13,18,21,23H,4,8-9,11-12H2,1H3,(H,22,25)
InChIKeyQJNGPOZXQRVKEB-UHFFFAOYSA-N
XLogP3.89
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 111444019
(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-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 48791325
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 110012348
N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 47256655
3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 94783773
2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47323235
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide (CID 167756273) is N-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide is Cc1cccc2[nH]cc(CCNC(=O)N3CCCC3c3ccc[nH]3)c12.
What is the InChIKey of N-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is QJNGPOZXQRVKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-5-2-6-17-19(14)15(13-23-17)9-11-22-20(25)24-12-4-8-18(24)16-7-3-10-21-16/h2-3,5-7,10,13,18,21,23H,4,8-9,11-12H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
N-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 167756273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).