ethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate

C20H23N3O3 — CID 14750683

IUPACethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1=CN(C)C=CC1
InChIInChI=1S/C20H23N3O3/c1-3-26-20(25)18(22-19(24)14-7-6-10-23(2)13-14)11-15-12-21-17-9-5-4-8-16(15)17/h4-6,8-10,12-13,18,21H,3,7,11H2,1-2H3,(H,22,24)
InChIKeyADPUNIAGNFRYEM-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.49
Rot. Bonds6

About ethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate

ethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate (PubChem CID 14750683) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate
PubChem CID14750683
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Nameethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1=CN(C)C=CC1
InChIInChI=1S/C20H23N3O3/c1-3-26-20(25)18(22-19(24)14-7-6-10-23(2)13-14)11-15-12-21-17-9-5-4-8-16(15)17/h4-6,8-10,12-13,18,21H,3,7,11H2,1-2H3,(H,22,24)
InChIKeyADPUNIAGNFRYEM-UHFFFAOYSA-N
XLogP2.49
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate with MolForge

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Related Compounds

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
[2-[[(2S)-1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium
CID 57007606
[2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride
CID 110188518
(2R)-2-[(2-ethoxybenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 95066275
ethyl (2S)-3-(1H-indol-3-yl)-2-[(4-pentoxybenzoyl)amino]propanoate
CID 7587597
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate
CID 69130545
methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
ethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate
CID 14301748
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 7573546
methyl (2R)-3-(1H-indol-3-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 18086563

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate (CID 14750683) is ethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate is CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1=CN(C)C=CC1.
What is the InChIKey of ethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate?
The InChIKey is ADPUNIAGNFRYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-26-20(25)18(22-19(24)14-7-6-10-23(2)13-14)11-15-12-21-17-9-5-4-8-16(15)17/h4-6,8-10,12-13,18,21H,3,7,11H2,1-2H3,(H,22,24).
What are the key properties of ethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate?
ethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate has a molecular weight of 353.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 14750683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).