2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone

C20H21N3O — CID 94363141

IUPAC2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
SMILESCc1cn(CC(=O)N2CCC[C@@H]2c2ccccn2)c2ccccc12
InChIInChI=1S/C20H21N3O/c1-15-13-22(18-9-3-2-7-16(15)18)14-20(24)23-12-6-10-19(23)17-8-4-5-11-21-17/h2-5,7-9,11,13,19H,6,10,12,14H2,1H3/t19-/m1/s1
InChIKeyHHCBELIOMPGSKE-LJQANCHMSA-N
MW319.41 g/mol
LogP3.71
Rot. Bonds3

About 2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone

2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone (PubChem CID 94363141) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
PubChem CID94363141
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
SMILESCc1cn(CC(=O)N2CCC[C@@H]2c2ccccn2)c2ccccc12
InChIInChI=1S/C20H21N3O/c1-15-13-22(18-9-3-2-7-16(15)18)14-20(24)23-12-6-10-19(23)17-8-4-5-11-21-17/h2-5,7-9,11,13,19H,6,10,12,14H2,1H3/t19-/m1/s1
InChIKeyHHCBELIOMPGSKE-LJQANCHMSA-N
XLogP3.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94811631
2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 73440457
1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone
CID 110910723
2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096
[(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea
CID 98572904
3-[2-oxo-2-[(2R)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 95862581
3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 70723414
3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one
CID 70770316
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone
CID 95340151
1-[2-oxo-2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]piperidine-4-carboxamide
CID 97120709
2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 77091255
3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99947323

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone (CID 94363141) is 2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone is Cc1cn(CC(=O)N2CCC[C@@H]2c2ccccn2)c2ccccc12.
What is the InChIKey of 2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone?
The InChIKey is HHCBELIOMPGSKE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-13-22(18-9-3-2-7-16(15)18)14-20(24)23-12-6-10-19(23)17-8-4-5-11-21-17/h2-5,7-9,11,13,19H,6,10,12,14H2,1H3/t19-/m1/s1.
What are the key properties of 2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone?
2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone has a molecular weight of 319.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 94363141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).