[2-(2-methoxyethoxy)-4-pyridinyl]-(3-methyl-2,3-dihydroindol-1-yl)methanone

C18H20N2O3 — CID 84596496

IUPAC[2-(2-methoxyethoxy)-4-pyridinyl]-(3-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOCCOc1cc(C(=O)N2CC(C)c3ccccc32)ccn1
InChIInChI=1S/C18H20N2O3/c1-13-12-20(16-6-4-3-5-15(13)16)18(21)14-7-8-19-17(11-14)23-10-9-22-2/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyJKJUNRFXLAQQAH-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.87
Rot. Bonds5

About [2-(2-methoxyethoxy)-4-pyridinyl]-(3-methyl-2,3-dihydroindol-1-yl)methanone

[2-(2-methoxyethoxy)-4-pyridinyl]-(3-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 84596496) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is [2-(2-methoxyethoxy)-4-pyridinyl]-(3-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-methoxyethoxy)-4-pyridinyl]-(3-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID84596496
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name[2-(2-methoxyethoxy)-4-pyridinyl]-(3-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOCCOc1cc(C(=O)N2CC(C)c3ccccc32)ccn1
InChIInChI=1S/C18H20N2O3/c1-13-12-20(16-6-4-3-5-15(13)16)18(21)14-7-8-19-17(11-14)23-10-9-22-2/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyJKJUNRFXLAQQAH-UHFFFAOYSA-N
XLogP2.87
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-(2-methoxyethoxy)-4-pyridinyl]-(3-methyl-2,3-dihydroindol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethoxy)-4-pyridinyl]-(3-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-(2-methoxyethoxy)-4-pyridinyl]-(3-methyl-2,3-dihydroindol-1-yl)methanone (CID 84596496) is [2-(2-methoxyethoxy)-4-pyridinyl]-(3-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-(2-methoxyethoxy)-4-pyridinyl]-(3-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-(2-methoxyethoxy)-4-pyridinyl]-(3-methyl-2,3-dihydroindol-1-yl)methanone is COCCOc1cc(C(=O)N2CC(C)c3ccccc32)ccn1.
What is the InChIKey of [2-(2-methoxyethoxy)-4-pyridinyl]-(3-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is JKJUNRFXLAQQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-12-20(16-6-4-3-5-15(13)16)18(21)14-7-8-19-17(11-14)23-10-9-22-2/h3-8,11,13H,9-10,12H2,1-2H3.
What are the key properties of [2-(2-methoxyethoxy)-4-pyridinyl]-(3-methyl-2,3-dihydroindol-1-yl)methanone?
[2-(2-methoxyethoxy)-4-pyridinyl]-(3-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethoxy)-4-pyridinyl]-(3-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 84596496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).