4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide

C21H23N3O2 — CID 50983263

IUPAC4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
SMILESCC1CCCN1Cc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C21H23N3O2/c1-14-3-2-10-24(14)13-15-4-6-16(7-5-15)21(26)22-18-8-9-19-17(11-18)12-20(25)23-19/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyAVNQCOUADKMHLM-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.42
Rot. Bonds4

About 4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide

4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide (PubChem CID 50983263) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
PubChem CID50983263
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
SMILESCC1CCCN1Cc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C21H23N3O2/c1-14-3-2-10-24(14)13-15-4-6-16(7-5-15)21(26)22-18-8-9-19-17(11-18)12-20(25)23-19/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyAVNQCOUADKMHLM-UHFFFAOYSA-N
XLogP3.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide
CID 50980549
4-[[methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 95121822
methyl 4-[(2-methylpyrrolidin-1-yl)methyl]benzoate
CID 54882617
4-[[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]carbamoyl]benzoic acid
CID 163266294
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55869873
N-(3,4-difluorophenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700475
N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387
(2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 98784893
(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-1-carboxamide
CID 97444027
3-cyclopentyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 18570800
2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 10273081
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
The IUPAC name of 4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide (CID 50983263) is 4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide.
What is the SMILES notation for 4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
The canonical SMILES for 4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide is CC1CCCN1Cc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1.
What is the InChIKey of 4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
The InChIKey is AVNQCOUADKMHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-3-2-10-24(14)13-15-4-6-16(7-5-15)21(26)22-18-8-9-19-17(11-18)12-20(25)23-19/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide is sourced from PubChem (CID 50983263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).