5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide

C18H23N3O3 — CID 4971080

IUPAC5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCCN3CCCC3=O)c(C)c2c1
InChIInChI=1S/C18H23N3O3/c1-12-14-11-13(24-2)6-7-15(14)20-17(12)18(23)19-8-4-10-21-9-3-5-16(21)22/h6-7,11,20H,3-5,8-10H2,1-2H3,(H,19,23)
InChIKeyDJYNSYHTNAXMFZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.23
Rot. Bonds6

About 5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide

5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide (PubChem CID 4971080) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
PubChem CID4971080
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCCN3CCCC3=O)c(C)c2c1
InChIInChI=1S/C18H23N3O3/c1-12-14-11-13(24-2)6-7-15(14)20-17(12)18(23)19-8-4-10-21-9-3-5-16(21)22/h6-7,11,20H,3-5,8-10H2,1-2H3,(H,19,23)
InChIKeyDJYNSYHTNAXMFZ-UHFFFAOYSA-N
XLogP2.23
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
CID 4908880
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 113204847
1-[3-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]propyl]pyrrolidin-2-one
CID 2022681
4-acetyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 17424328
1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 2215682
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 131889099
2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78822014
2-N-(4-methoxyphenyl)-5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353639
N-[(E)-1-(5-methoxy-1H-indol-3-yl)-3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-1-en-2-yl]benzamide
CID 124923111
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
CID 42992469
2-methoxyethyl 2,4-dimethyl-5-[3-(2-oxoazepan-1-yl)propylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 46471067

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide (CID 4971080) is 5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NCCCN3CCCC3=O)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide?
The InChIKey is DJYNSYHTNAXMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-14-11-13(24-2)6-7-15(14)20-17(12)18(23)19-8-4-10-21-9-3-5-16(21)22/h6-7,11,20H,3-5,8-10H2,1-2H3,(H,19,23).
What are the key properties of 5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide?
5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 4971080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).