1-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]indole-6-carboxamide

C21H21N3O2 — CID 72876504

IUPAC1-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]indole-6-carboxamide
SMILESCc1ccc(N2CC(NC(=O)c3ccc4ccn(C)c4c3)CC2=O)cc1
InChIInChI=1S/C21H21N3O2/c1-14-3-7-18(8-4-14)24-13-17(12-20(24)25)22-21(26)16-6-5-15-9-10-23(2)19(15)11-16/h3-11,17H,12-13H2,1-2H3,(H,22,26)
InChIKeyFEBCWEFPKFCBBX-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.02
Rot. Bonds3

About 1-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]indole-6-carboxamide

1-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]indole-6-carboxamide (PubChem CID 72876504) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]indole-6-carboxamide
PubChem CID72876504
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]indole-6-carboxamide
SMILESCc1ccc(N2CC(NC(=O)c3ccc4ccn(C)c4c3)CC2=O)cc1
InChIInChI=1S/C21H21N3O2/c1-14-3-7-18(8-4-14)24-13-17(12-20(24)25)22-21(26)16-6-5-15-9-10-23(2)19(15)11-16/h3-11,17H,12-13H2,1-2H3,(H,22,26)
InChIKeyFEBCWEFPKFCBBX-UHFFFAOYSA-N
XLogP3.02
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 18573314
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547228
3-chloro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547239
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7547797
3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546685
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7255032
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 18573384
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7255471
4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547181
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]indole-6-carboxamide?
The IUPAC name of 1-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]indole-6-carboxamide (CID 72876504) is 1-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]indole-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]indole-6-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]indole-6-carboxamide is Cc1ccc(N2CC(NC(=O)c3ccc4ccn(C)c4c3)CC2=O)cc1.
What is the InChIKey of 1-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]indole-6-carboxamide?
The InChIKey is FEBCWEFPKFCBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-3-7-18(8-4-14)24-13-17(12-20(24)25)22-21(26)16-6-5-15-9-10-23(2)19(15)11-16/h3-11,17H,12-13H2,1-2H3,(H,22,26).
What are the key properties of 1-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]indole-6-carboxamide?
1-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]indole-6-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]indole-6-carboxamide is sourced from PubChem (CID 72876504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).