2-[2-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]ethyl]-1-methylindole-6-carbonitrile

C24H25N3O2 — CID 21251599

IUPAC2-[2-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]ethyl]-1-methylindole-6-carbonitrile
SMILESCOc1ccc(C(=O)N2CCCC2CCc2cc3ccc(C#N)cc3n2C)cc1
InChIInChI=1S/C24H25N3O2/c1-26-21(15-19-6-5-17(16-25)14-23(19)26)10-9-20-4-3-13-27(20)24(28)18-7-11-22(29-2)12-8-18/h5-8,11-12,14-15,20H,3-4,9-10,13H2,1-2H3
InChIKeyVOAZRFHMWCKKNY-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.30
Rot. Bonds5

About 2-[2-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]ethyl]-1-methylindole-6-carbonitrile

2-[2-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]ethyl]-1-methylindole-6-carbonitrile (PubChem CID 21251599) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[2-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]ethyl]-1-methylindole-6-carbonitrile.

Molecular Properties

Compound Name2-[2-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]ethyl]-1-methylindole-6-carbonitrile
PubChem CID21251599
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-[2-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]ethyl]-1-methylindole-6-carbonitrile
SMILESCOc1ccc(C(=O)N2CCCC2CCc2cc3ccc(C#N)cc3n2C)cc1
InChIInChI=1S/C24H25N3O2/c1-26-21(15-19-6-5-17(16-25)14-23(19)26)10-9-20-4-3-13-27(20)24(28)18-7-11-22(29-2)12-8-18/h5-8,11-12,14-15,20H,3-4,9-10,13H2,1-2H3
InChIKeyVOAZRFHMWCKKNY-UHFFFAOYSA-N
XLogP4.30
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butyl (2S)-2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]pyrrolidine-1-carboxylate
CID 142674548
methyl 3-[[2-[2-(6-cyano-1-methylindol-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1-benzothiophene-2-carboxylate
CID 21251524
1-methyl-2-[2-[(2S)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]ethyl]indole-6-carbonitrile
CID 70092832
2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile
CID 20640434
[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 63767656
[2-(bromomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 74554954
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile
CID 66260511
4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile
CID 79028617
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile
CID 70108714

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]ethyl]-1-methylindole-6-carbonitrile?
The IUPAC name of 2-[2-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]ethyl]-1-methylindole-6-carbonitrile (CID 21251599) is 2-[2-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]ethyl]-1-methylindole-6-carbonitrile.
What is the SMILES notation for 2-[2-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]ethyl]-1-methylindole-6-carbonitrile?
The canonical SMILES for 2-[2-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]ethyl]-1-methylindole-6-carbonitrile is COc1ccc(C(=O)N2CCCC2CCc2cc3ccc(C#N)cc3n2C)cc1.
What is the InChIKey of 2-[2-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]ethyl]-1-methylindole-6-carbonitrile?
The InChIKey is VOAZRFHMWCKKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-26-21(15-19-6-5-17(16-25)14-23(19)26)10-9-20-4-3-13-27(20)24(28)18-7-11-22(29-2)12-8-18/h5-8,11-12,14-15,20H,3-4,9-10,13H2,1-2H3.
What are the key properties of 2-[2-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]ethyl]-1-methylindole-6-carbonitrile?
2-[2-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]ethyl]-1-methylindole-6-carbonitrile has a molecular weight of 387.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]ethyl]-1-methylindole-6-carbonitrile is sourced from PubChem (CID 21251599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).