ethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate

C19H19N3O3 — CID 3674807

IUPACethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate
SMILESCCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccccn1
InChIInChI=1S/C19H19N3O3/c1-2-25-19(24)17(22-18(23)16-9-5-6-10-20-16)11-13-12-21-15-8-4-3-7-14(13)15/h3-10,12,17,21H,2,11H2,1H3,(H,22,23)
InChIKeyOREGMTLEAJRIJJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.47
Rot. Bonds6

About ethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate

ethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate (PubChem CID 3674807) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate
PubChem CID3674807
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Nameethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate
SMILESCCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccccn1
InChIInChI=1S/C19H19N3O3/c1-2-25-19(24)17(22-18(23)16-9-5-6-10-20-16)11-13-12-21-15-8-4-3-7-14(13)15/h3-10,12,17,21H,2,11H2,1H3,(H,22,23)
InChIKeyOREGMTLEAJRIJJ-UHFFFAOYSA-N
XLogP2.47
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate
CID 7033511
[2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride
CID 110188518
(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoyl]amino]propanoic acid
CID 102051767
[2-[[(2S)-1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium
CID 57007606
ethyl 2-[[2-(1-aminobutyl)-1,3-thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 3810868
ethyl (2S)-3-(1H-indol-3-yl)-2-[(4-pentoxybenzoyl)amino]propanoate
CID 7587597
ethyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 3782207
ethyl 3-hydroxy-2-(pyridine-2-carbonylamino)propanoate
CID 70817337
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
ethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate
CID 14750683
methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate?
The IUPAC name of ethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate (CID 3674807) is ethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate.
What is the SMILES notation for ethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate?
The canonical SMILES for ethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate is CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccccn1.
What is the InChIKey of ethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate?
The InChIKey is OREGMTLEAJRIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-25-19(24)17(22-18(23)16-9-5-6-10-20-16)11-13-12-21-15-8-4-3-7-14(13)15/h3-10,12,17,21H,2,11H2,1H3,(H,22,23).
What are the key properties of ethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate?
ethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate has a molecular weight of 337.38 g/mol, XLogP of 2.47, 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-(pyridine-2-carbonylamino)propanoate is sourced from PubChem (CID 3674807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).