(6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C15H20N2O3 — CID 171946177

IUPAC(6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1ncc(C(=O)C2CC3COCC(C2)N3)cc1C
InChIInChI=1S/C15H20N2O3/c1-9-3-11(6-16-15(9)19-2)14(18)10-4-12-7-20-8-13(5-10)17-12/h3,6,10,12-13,17H,4-5,7-8H2,1-2H3
InChIKeyUSIRKTPLPUMJAR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.35
Rot. Bonds3

About (6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

(6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171946177) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name(6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171946177
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1ncc(C(=O)C2CC3COCC(C2)N3)cc1C
InChIInChI=1S/C15H20N2O3/c1-9-3-11(6-16-15(9)19-2)14(18)10-4-12-7-20-8-13(5-10)17-12/h3,6,10,12-13,17H,4-5,7-8H2,1-2H3
InChIKeyUSIRKTPLPUMJAR-UHFFFAOYSA-N
XLogP1.35
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of (6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171946177) is (6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for (6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for (6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is COc1ncc(C(=O)C2CC3COCC(C2)N3)cc1C.
What is the InChIKey of (6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is USIRKTPLPUMJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-3-11(6-16-15(9)19-2)14(18)10-4-12-7-20-8-13(5-10)17-12/h3,6,10,12-13,17H,4-5,7-8H2,1-2H3.
What are the key properties of (6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
(6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171946177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).