1-N-(1-carbamoylindol-3-yl)-2-N-(4-methyl-2-oxooxolan-3-yl)pyrrolidine-1,2-dicarboxamide

C20H23N5O5 — CID 123971652

IUPAC1-N-(1-carbamoylindol-3-yl)-2-N-(4-methyl-2-oxooxolan-3-yl)pyrrolidine-1,2-dicarboxamide
SMILESCC1COC(=O)C1NC(=O)C1CCCN1C(=O)Nc1cn(C(N)=O)c2ccccc12
InChIInChI=1S/C20H23N5O5/c1-11-10-30-18(27)16(11)23-17(26)15-7-4-8-24(15)20(29)22-13-9-25(19(21)28)14-6-3-2-5-12(13)14/h2-3,5-6,9,11,15-16H,4,7-8,10H2,1H3,(H2,21,28)(H,22,29)(H,23,26)
InChIKeyQMPHZPCAHKBBTD-UHFFFAOYSA-N
MW413.43 g/mol
LogP1.24
Rot. Bonds3

About 1-N-(1-carbamoylindol-3-yl)-2-N-(4-methyl-2-oxooxolan-3-yl)pyrrolidine-1,2-dicarboxamide

1-N-(1-carbamoylindol-3-yl)-2-N-(4-methyl-2-oxooxolan-3-yl)pyrrolidine-1,2-dicarboxamide (PubChem CID 123971652) has the molecular formula C20H23N5O5 and a molecular weight of 413.43 g/mol. Its IUPAC name is 1-N-(1-carbamoylindol-3-yl)-2-N-(4-methyl-2-oxooxolan-3-yl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(1-carbamoylindol-3-yl)-2-N-(4-methyl-2-oxooxolan-3-yl)pyrrolidine-1,2-dicarboxamide
PubChem CID123971652
Molecular FormulaC20H23N5O5
Molecular Weight413.43 g/mol
Exact Mass413.17
IUPAC Name1-N-(1-carbamoylindol-3-yl)-2-N-(4-methyl-2-oxooxolan-3-yl)pyrrolidine-1,2-dicarboxamide
SMILESCC1COC(=O)C1NC(=O)C1CCCN1C(=O)Nc1cn(C(N)=O)c2ccccc12
InChIInChI=1S/C20H23N5O5/c1-11-10-30-18(27)16(11)23-17(26)15-7-4-8-24(15)20(29)22-13-9-25(19(21)28)14-6-3-2-5-12(13)14/h2-3,5-6,9,11,15-16H,4,7-8,10H2,1H3,(H2,21,28)(H,22,29)(H,23,26)
InChIKeyQMPHZPCAHKBBTD-UHFFFAOYSA-N
XLogP1.24
TPSA135.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-5-[[(2S)-1-[(1-carbamoylindol-3-yl)carbamoyl]pyrrolidine-2-carbonyl]amino]benzoic acid
CID 130322715
(2S,3R)-1-[(1-carbamoylindol-3-yl)carbamoyl]-3-hydroxypyrrolidine-2-carboxylic acid
CID 130301641
(2S)-1-N-(1-carbamoylindol-3-yl)-2-N-[[3-chloro-5-(diethylamino)-2-fluorophenyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 130322399
(2S)-1-N-(1-carbamoylindol-3-yl)-2-N-[[3-chloro-5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-fluorophenyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 130322318
(2S)-2-N-benzhydryl-1-N-(1-methylindol-3-yl)pyrrolidine-1,2-dicarboxamide
CID 122164804
(2S)-1-N-(1-carbamoylindol-3-yl)-2-N-[[3-chloro-2-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 130322319
(2R)-2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051482
2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015935
(2S,4S)-4-amino-1-N-(1-carbamoylindol-3-yl)-2-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-1,2-dicarboxamide
CID 71009708
(2S)-2-N-(1-acetylindol-3-yl)-1-N-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 134202795
(2S,4S)-4-amino-1-N-(1-carbamoylindol-3-yl)-2-N-[(3S)-3-phenylbutan-2-yl]pyrrolidine-1,2-dicarboxamide
CID 71042438
2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230177

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-carbamoylindol-3-yl)-2-N-(4-methyl-2-oxooxolan-3-yl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(1-carbamoylindol-3-yl)-2-N-(4-methyl-2-oxooxolan-3-yl)pyrrolidine-1,2-dicarboxamide (CID 123971652) is 1-N-(1-carbamoylindol-3-yl)-2-N-(4-methyl-2-oxooxolan-3-yl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(1-carbamoylindol-3-yl)-2-N-(4-methyl-2-oxooxolan-3-yl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(1-carbamoylindol-3-yl)-2-N-(4-methyl-2-oxooxolan-3-yl)pyrrolidine-1,2-dicarboxamide is CC1COC(=O)C1NC(=O)C1CCCN1C(=O)Nc1cn(C(N)=O)c2ccccc12.
What is the InChIKey of 1-N-(1-carbamoylindol-3-yl)-2-N-(4-methyl-2-oxooxolan-3-yl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is QMPHZPCAHKBBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5/c1-11-10-30-18(27)16(11)23-17(26)15-7-4-8-24(15)20(29)22-13-9-25(19(21)28)14-6-3-2-5-12(13)14/h2-3,5-6,9,11,15-16H,4,7-8,10H2,1H3,(H2,21,28)(H,22,29)(H,23,26).
What are the key properties of 1-N-(1-carbamoylindol-3-yl)-2-N-(4-methyl-2-oxooxolan-3-yl)pyrrolidine-1,2-dicarboxamide?
1-N-(1-carbamoylindol-3-yl)-2-N-(4-methyl-2-oxooxolan-3-yl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 413.43 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-carbamoylindol-3-yl)-2-N-(4-methyl-2-oxooxolan-3-yl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 123971652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).