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

C17H21N3O3 — CID 4908880

IUPAC6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCCN3CCCC3=O)[nH]c2c1
InChIInChI=1S/C17H21N3O3/c1-23-13-6-5-12-10-15(19-14(12)11-13)17(22)18-7-3-9-20-8-2-4-16(20)21/h5-6,10-11,19H,2-4,7-9H2,1H3,(H,18,22)
InChIKeyMWROUGXAZOXPSW-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.92
Rot. Bonds6

About 6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide

6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide (PubChem CID 4908880) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
PubChem CID4908880
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCCN3CCCC3=O)[nH]c2c1
InChIInChI=1S/C17H21N3O3/c1-23-13-6-5-12-10-15(19-14(12)11-13)17(22)18-7-3-9-20-8-2-4-16(20)21/h5-6,10-11,19H,2-4,7-9H2,1H3,(H,18,22)
InChIKeyMWROUGXAZOXPSW-UHFFFAOYSA-N
XLogP1.92
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
CID 4971080
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 2215682
5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2742916
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-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108907537
6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 39983983
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
CID 39990796

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide (CID 4908880) is 6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCCCN3CCCC3=O)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide?
The InChIKey is MWROUGXAZOXPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-23-13-6-5-12-10-15(19-14(12)11-13)17(22)18-7-3-9-20-8-2-4-16(20)21/h5-6,10-11,19H,2-4,7-9H2,1H3,(H,18,22).
What are the key properties of 6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide?
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 4908880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).