N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide

C24H29N3O2 — CID 9451091

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)N2CCCC2)cc1
InChIInChI=1S/C24H29N3O2/c1-16-17(2)26-22-11-8-19(14-21(16)22)24(28)25-15-23(27-12-4-5-13-27)18-6-9-20(29-3)10-7-18/h6-11,14,23,26H,4-5,12-13,15H2,1-3H3,(H,25,28)/t23-/m1/s1
InChIKeyRDDFFGLJJKNGGZ-HSZRJFAPSA-N
MW391.52 g/mol
LogP4.36
Rot. Bonds6

About N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide

N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 9451091) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID9451091
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)N2CCCC2)cc1
InChIInChI=1S/C24H29N3O2/c1-16-17(2)26-22-11-8-19(14-21(16)22)24(28)25-15-23(27-12-4-5-13-27)18-6-9-20(29-3)10-7-18/h6-11,14,23,26H,4-5,12-13,15H2,1-3H3,(H,25,28)/t23-/m1/s1
InChIKeyRDDFFGLJJKNGGZ-HSZRJFAPSA-N
XLogP4.36
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 9451089
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
3-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 24544219
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
4-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4827588
3-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17427502
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
3-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 2997566
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454
4-butoxy-3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55328426
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40860018

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide (CID 9451091) is N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide is COc1ccc([C@@H](CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)N2CCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is RDDFFGLJJKNGGZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16-17(2)26-22-11-8-19(14-21(16)22)24(28)25-15-23(27-12-4-5-13-27)18-6-9-20(29-3)10-7-18/h6-11,14,23,26H,4-5,12-13,15H2,1-3H3,(H,25,28)/t23-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide?
N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 9451091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).