2-(5-amino-1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-oxoacetamide

C22H22N4O3 — CID 163362078

IUPAC2-(5-amino-1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-oxoacetamide
SMILESCc1ccc(CN2CCC(NC(=O)C(=O)c3c[nH]c4ccc(N)cc34)C2=O)cc1
InChIInChI=1S/C22H22N4O3/c1-13-2-4-14(5-3-13)12-26-9-8-19(22(26)29)25-21(28)20(27)17-11-24-18-7-6-15(23)10-16(17)18/h2-7,10-11,19,24H,8-9,12,23H2,1H3,(H,25,28)
InChIKeyOPBRSWJIQBOWAI-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.16
Rot. Bonds5

About 2-(5-amino-1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-oxoacetamide

2-(5-amino-1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-oxoacetamide (PubChem CID 163362078) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(5-amino-1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-amino-1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-oxoacetamide
PubChem CID163362078
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-(5-amino-1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-oxoacetamide
SMILESCc1ccc(CN2CCC(NC(=O)C(=O)c3c[nH]c4ccc(N)cc34)C2=O)cc1
InChIInChI=1S/C22H22N4O3/c1-13-2-4-14(5-3-13)12-26-9-8-19(22(26)29)25-21(28)20(27)17-11-24-18-7-6-15(23)10-16(17)18/h2-7,10-11,19,24H,8-9,12,23H2,1H3,(H,25,28)
InChIKeyOPBRSWJIQBOWAI-UHFFFAOYSA-N
XLogP2.16
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide
CID 63116925
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803
2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide
CID 129402092
3-[2-[[1-(2-chloro-4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoacetyl]-1H-indole-6-carboxylic acid
CID 175403278
N-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide
CID 124847797
N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 129352847
N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide
CID 124841975
1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea
CID 119049842
N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide
CID 126778104
(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 118207331
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116494
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
CID 107211254

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-oxoacetamide?
The IUPAC name of 2-(5-amino-1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-oxoacetamide (CID 163362078) is 2-(5-amino-1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-(5-amino-1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-(5-amino-1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-oxoacetamide is Cc1ccc(CN2CCC(NC(=O)C(=O)c3c[nH]c4ccc(N)cc34)C2=O)cc1.
What is the InChIKey of 2-(5-amino-1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-oxoacetamide?
The InChIKey is OPBRSWJIQBOWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-13-2-4-14(5-3-13)12-26-9-8-19(22(26)29)25-21(28)20(27)17-11-24-18-7-6-15(23)10-16(17)18/h2-7,10-11,19,24H,8-9,12,23H2,1H3,(H,25,28).
What are the key properties of 2-(5-amino-1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-oxoacetamide?
2-(5-amino-1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-oxoacetamide has a molecular weight of 390.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-oxoacetamide is sourced from PubChem (CID 163362078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).