(2-ethoxy-6-methyl-3-pyridinyl)-(3-propan-2-yloxyazetidin-1-yl)methanone

C15H22N2O3 — CID 126836845

IUPAC(2-ethoxy-6-methyl-3-pyridinyl)-(3-propan-2-yloxyazetidin-1-yl)methanone
SMILESCCOc1nc(C)ccc1C(=O)N1CC(OC(C)C)C1
InChIInChI=1S/C15H22N2O3/c1-5-19-14-13(7-6-11(4)16-14)15(18)17-8-12(9-17)20-10(2)3/h6-7,10,12H,5,8-9H2,1-4H3
InChIKeyNHMZEIHZHAYYJA-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.04
Rot. Bonds5

About (2-ethoxy-6-methyl-3-pyridinyl)-(3-propan-2-yloxyazetidin-1-yl)methanone

(2-ethoxy-6-methyl-3-pyridinyl)-(3-propan-2-yloxyazetidin-1-yl)methanone (PubChem CID 126836845) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2-ethoxy-6-methyl-3-pyridinyl)-(3-propan-2-yloxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethoxy-6-methyl-3-pyridinyl)-(3-propan-2-yloxyazetidin-1-yl)methanone
PubChem CID126836845
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2-ethoxy-6-methyl-3-pyridinyl)-(3-propan-2-yloxyazetidin-1-yl)methanone
SMILESCCOc1nc(C)ccc1C(=O)N1CC(OC(C)C)C1
InChIInChI=1S/C15H22N2O3/c1-5-19-14-13(7-6-11(4)16-14)15(18)17-8-12(9-17)20-10(2)3/h6-7,10,12H,5,8-9H2,1-4H3
InChIKeyNHMZEIHZHAYYJA-UHFFFAOYSA-N
XLogP2.04
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-6-methyl-3-pyridinyl)-(3-propan-2-yloxyazetidin-1-yl)methanone?
The IUPAC name of (2-ethoxy-6-methyl-3-pyridinyl)-(3-propan-2-yloxyazetidin-1-yl)methanone (CID 126836845) is (2-ethoxy-6-methyl-3-pyridinyl)-(3-propan-2-yloxyazetidin-1-yl)methanone.
What is the SMILES notation for (2-ethoxy-6-methyl-3-pyridinyl)-(3-propan-2-yloxyazetidin-1-yl)methanone?
The canonical SMILES for (2-ethoxy-6-methyl-3-pyridinyl)-(3-propan-2-yloxyazetidin-1-yl)methanone is CCOc1nc(C)ccc1C(=O)N1CC(OC(C)C)C1.
What is the InChIKey of (2-ethoxy-6-methyl-3-pyridinyl)-(3-propan-2-yloxyazetidin-1-yl)methanone?
The InChIKey is NHMZEIHZHAYYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-19-14-13(7-6-11(4)16-14)15(18)17-8-12(9-17)20-10(2)3/h6-7,10,12H,5,8-9H2,1-4H3.
What are the key properties of (2-ethoxy-6-methyl-3-pyridinyl)-(3-propan-2-yloxyazetidin-1-yl)methanone?
(2-ethoxy-6-methyl-3-pyridinyl)-(3-propan-2-yloxyazetidin-1-yl)methanone has a molecular weight of 278.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-6-methyl-3-pyridinyl)-(3-propan-2-yloxyazetidin-1-yl)methanone is sourced from PubChem (CID 126836845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).