ethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate

C20H21N3O3 — CID 154302994

IUPACethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate
SMILESCCOC(=O)Cc1c(CC(N)C(=O)c2ccccn2)[nH]c2ccccc12
InChIInChI=1S/C20H21N3O3/c1-2-26-19(24)11-14-13-7-3-4-8-16(13)23-18(14)12-15(21)20(25)17-9-5-6-10-22-17/h3-10,15,23H,2,11-12,21H2,1H3
InChIKeyOZMQQKHXUOXRED-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.42
Rot. Bonds7

About ethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate

ethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate (PubChem CID 154302994) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is ethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate
PubChem CID154302994
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Nameethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate
SMILESCCOC(=O)Cc1c(CC(N)C(=O)c2ccccn2)[nH]c2ccccc12
InChIInChI=1S/C20H21N3O3/c1-2-26-19(24)11-14-13-7-3-4-8-16(13)23-18(14)12-15(21)20(25)17-9-5-6-10-22-17/h3-10,15,23H,2,11-12,21H2,1H3
InChIKeyOZMQQKHXUOXRED-UHFFFAOYSA-N
XLogP2.42
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate with MolForge

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Related Compounds

ethyl 2-(3-ethyl-1H-indol-2-yl)acetate
CID 15424486
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
ethyl 2-(2-formyl-1H-indol-3-yl)acetate
CID 82390658
ethyl 2-amino-3-(2-benzyl-1H-indol-3-yl)propanoate
CID 134906934
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104
2,2-diethoxy-1-pyridin-2-ylethanone
CID 13057565
ethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate
CID 3674807
ethyl (2S)-3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate
CID 7033511
ethyl pyridine-2-carboxylate
CID 17307
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate
CID 132577846
ethyl (2S)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoate
CID 15343755

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate (CID 154302994) is ethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate is CCOC(=O)Cc1c(CC(N)C(=O)c2ccccn2)[nH]c2ccccc12.
What is the InChIKey of ethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate?
The InChIKey is OZMQQKHXUOXRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-26-19(24)11-14-13-7-3-4-8-16(13)23-18(14)12-15(21)20(25)17-9-5-6-10-22-17/h3-10,15,23H,2,11-12,21H2,1H3.
What are the key properties of ethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate?
ethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate has a molecular weight of 351.41 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate is sourced from PubChem (CID 154302994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).