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

C18H19N3O3 — CID 59831707

IUPACmethylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate
SMILESCNOC(=O)CC(c1cc(OC)c2cc[nH]c2c1)c1ccccn1
InChIInChI=1S/C18H19N3O3/c1-19-24-18(22)11-14(15-5-3-4-7-20-15)12-9-16-13(6-8-21-16)17(10-12)23-2/h3-10,14,19,21H,11H2,1-2H3
InChIKeyHOIYHDKCXLKXNT-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.77
Rot. Bonds6

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

methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate (PubChem CID 59831707) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Namemethylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate
PubChem CID59831707
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Namemethylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate
SMILESCNOC(=O)CC(c1cc(OC)c2cc[nH]c2c1)c1ccccn1
InChIInChI=1S/C18H19N3O3/c1-19-24-18(22)11-14(15-5-3-4-7-20-15)12-9-16-13(6-8-21-16)17(10-12)23-2/h3-10,14,19,21H,11H2,1-2H3
InChIKeyHOIYHDKCXLKXNT-UHFFFAOYSA-N
XLogP2.77
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate?
The IUPAC name of methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate (CID 59831707) is methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate.
What is the SMILES notation for methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate?
The canonical SMILES for methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate is CNOC(=O)CC(c1cc(OC)c2cc[nH]c2c1)c1ccccn1.
What is the InChIKey of methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate?
The InChIKey is HOIYHDKCXLKXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-19-24-18(22)11-14(15-5-3-4-7-20-15)12-9-16-13(6-8-21-16)17(10-12)23-2/h3-10,14,19,21H,11H2,1-2H3.
What are the key properties of methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate?
methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate has a molecular weight of 325.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 59831707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).