2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide

C22H23N3O2 — CID 56557702

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(N2CCC(C)C2)cc1
InChIInChI=1S/C22H23N3O2/c1-14-11-12-25(13-14)17-9-7-16(8-10-17)24-22(27)21(26)20-15(2)23-19-6-4-3-5-18(19)20/h3-10,14,23H,11-13H2,1-2H3,(H,24,27)
InChIKeyXRMDZWAUCISJDV-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.14
Rot. Bonds4

About 2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide

2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide (PubChem CID 56557702) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide
PubChem CID56557702
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(N2CCC(C)C2)cc1
InChIInChI=1S/C22H23N3O2/c1-14-11-12-25(13-14)17-9-7-16(8-10-17)24-22(27)21(26)20-15(2)23-19-6-4-3-5-18(19)20/h3-10,14,23H,11-13H2,1-2H3,(H,24,27)
InChIKeyXRMDZWAUCISJDV-UHFFFAOYSA-N
XLogP4.14
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
CID 39041089
3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56559008
2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide
CID 52513385
ethyl 2,4-dimethyl-5-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 56559236
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 167801766
2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559405
3-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 56556195
2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide
CID 112985524
N-(9H-fluoren-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 5297197
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 166210029
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 56556326

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide (CID 56557702) is 2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(N2CCC(C)C2)cc1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide?
The InChIKey is XRMDZWAUCISJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-11-12-25(13-14)17-9-7-16(8-10-17)24-22(27)21(26)20-15(2)23-19-6-4-3-5-18(19)20/h3-10,14,23H,11-13H2,1-2H3,(H,24,27).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide?
2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide has a molecular weight of 361.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 56557702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).