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

C17H19N3O3 — CID 75369929

IUPACN-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NCCCN1C(=O)CCC1=O
InChIInChI=1S/C17H19N3O3/c1-11-16(12-5-2-3-6-13(12)19-11)17(23)18-9-4-10-20-14(21)7-8-15(20)22/h2-3,5-6,19H,4,7-10H2,1H3,(H,18,23)
InChIKeyLPSAHIFNOMVFHY-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.75
Rot. Bonds5

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

N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide (PubChem CID 75369929) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide
PubChem CID75369929
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NCCCN1C(=O)CCC1=O
InChIInChI=1S/C17H19N3O3/c1-11-16(12-5-2-3-6-13(12)19-11)17(23)18-9-4-10-20-14(21)7-8-15(20)22/h2-3,5-6,19H,4,7-10H2,1H3,(H,18,23)
InChIKeyLPSAHIFNOMVFHY-UHFFFAOYSA-N
XLogP1.75
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819513
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-indole-3-carboxamide
CID 25393465
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide
CID 32986974
N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide
CID 47438912
N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide
CID 111825055
2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid
CID 63930965
2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide
CID 16800787
3-methyl-4-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
CID 81063960
4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 116915904
2-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide
CID 38715449

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide (CID 75369929) is N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)NCCCN1C(=O)CCC1=O.
What is the InChIKey of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide?
The InChIKey is LPSAHIFNOMVFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-16(12-5-2-3-6-13(12)19-11)17(23)18-9-4-10-20-14(21)7-8-15(20)22/h2-3,5-6,19H,4,7-10H2,1H3,(H,18,23).
What are the key properties of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide?
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 75369929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).