(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-pyridin-2-ylindole-3-carboxylate

C22H23N3O3 — CID 134814153

IUPAC(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-pyridin-2-ylindole-3-carboxylate
SMILESCN1C2COCC1CC(OC(=O)c1cn(-c3ccccn3)c3ccccc13)C2
InChIInChI=1S/C22H23N3O3/c1-24-15-10-17(11-16(24)14-27-13-15)28-22(26)19-12-25(21-8-4-5-9-23-21)20-7-3-2-6-18(19)20/h2-9,12,15-17H,10-11,13-14H2,1H3
InChIKeyMVVLBJAZRQAGET-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.04
Rot. Bonds3

About (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-pyridin-2-ylindole-3-carboxylate

(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-pyridin-2-ylindole-3-carboxylate (PubChem CID 134814153) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-pyridin-2-ylindole-3-carboxylate.

Molecular Properties

Compound Name(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-pyridin-2-ylindole-3-carboxylate
PubChem CID134814153
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-pyridin-2-ylindole-3-carboxylate
SMILESCN1C2COCC1CC(OC(=O)c1cn(-c3ccccn3)c3ccccc13)C2
InChIInChI=1S/C22H23N3O3/c1-24-15-10-17(11-16(24)14-27-13-15)28-22(26)19-12-25(21-8-4-5-9-23-21)20-7-3-2-6-18(19)20/h2-9,12,15-17H,10-11,13-14H2,1H3
InChIKeyMVVLBJAZRQAGET-UHFFFAOYSA-N
XLogP3.04
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-pyridin-2-ylindole-3-carboxylate?
The IUPAC name of (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-pyridin-2-ylindole-3-carboxylate (CID 134814153) is (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-pyridin-2-ylindole-3-carboxylate.
What is the SMILES notation for (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-pyridin-2-ylindole-3-carboxylate?
The canonical SMILES for (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-pyridin-2-ylindole-3-carboxylate is CN1C2COCC1CC(OC(=O)c1cn(-c3ccccn3)c3ccccc13)C2.
What is the InChIKey of (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-pyridin-2-ylindole-3-carboxylate?
The InChIKey is MVVLBJAZRQAGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-24-15-10-17(11-16(24)14-27-13-15)28-22(26)19-12-25(21-8-4-5-9-23-21)20-7-3-2-6-18(19)20/h2-9,12,15-17H,10-11,13-14H2,1H3.
What are the key properties of (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-pyridin-2-ylindole-3-carboxylate?
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-pyridin-2-ylindole-3-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-pyridin-2-ylindole-3-carboxylate is sourced from PubChem (CID 134814153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).