5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide

C21H28N4O4 — CID 166396962

IUPAC5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCC(C)CN(C)C(=O)C3CNC(=O)C3)c(C)c2c1
InChIInChI=1S/C21H28N4O4/c1-12(11-25(3)21(28)14-7-18(26)22-10-14)9-23-20(27)19-13(2)16-8-15(29-4)5-6-17(16)24-19/h5-6,8,12,14,24H,7,9-11H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyBJRLEMFOENQQCF-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.45
Rot. Bonds7

About 5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide

5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide (PubChem CID 166396962) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide
PubChem CID166396962
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCC(C)CN(C)C(=O)C3CNC(=O)C3)c(C)c2c1
InChIInChI=1S/C21H28N4O4/c1-12(11-25(3)21(28)14-7-18(26)22-10-14)9-23-20(27)19-13(2)16-8-15(29-4)5-6-17(16)24-19/h5-6,8,12,14,24H,7,9-11H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyBJRLEMFOENQQCF-UHFFFAOYSA-N
XLogP1.45
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 113204847
methyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate
CID 78981244
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 125387938
5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 50967806
5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
CID 4971080
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-methoxy-N,3-dimethyl-1H-indole-2-carboxamide
CID 135637975
N-(4-ethylphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204869
5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid
CID 118071490
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 125433018
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 46975099
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205411
N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78983268

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide (CID 166396962) is 5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NCC(C)CN(C)C(=O)C3CNC(=O)C3)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide?
The InChIKey is BJRLEMFOENQQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-12(11-25(3)21(28)14-7-18(26)22-10-14)9-23-20(27)19-13(2)16-8-15(29-4)5-6-17(16)24-19/h5-6,8,12,14,24H,7,9-11H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of 5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide?
5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166396962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).