ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate

C19H20N2O3 — CID 59831840

IUPACethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)CC(c1cc(OC)c2cc[nH]c2c1)c1ccccn1
InChIInChI=1S/C19H20N2O3/c1-3-24-19(22)12-15(16-6-4-5-8-20-16)13-10-17-14(7-9-21-17)18(11-13)23-2/h4-11,15,21H,3,12H2,1-2H3
InChIKeyXSYAKPZIMFPZPR-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.66
Rot. Bonds6

About ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate

ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate (PubChem CID 59831840) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate
PubChem CID59831840
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Nameethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)CC(c1cc(OC)c2cc[nH]c2c1)c1ccccn1
InChIInChI=1S/C19H20N2O3/c1-3-24-19(22)12-15(16-6-4-5-8-20-16)13-10-17-14(7-9-21-17)18(11-13)23-2/h4-11,15,21H,3,12H2,1-2H3
InChIKeyXSYAKPZIMFPZPR-UHFFFAOYSA-N
XLogP3.66
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate?
The IUPAC name of ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate (CID 59831840) is ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate is CCOC(=O)CC(c1cc(OC)c2cc[nH]c2c1)c1ccccn1.
What is the InChIKey of ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate?
The InChIKey is XSYAKPZIMFPZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-24-19(22)12-15(16-6-4-5-8-20-16)13-10-17-14(7-9-21-17)18(11-13)23-2/h4-11,15,21H,3,12H2,1-2H3.
What are the key properties of ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate?
ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate has a molecular weight of 324.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 59831840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).