1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone

C13H17NO3 — CID 105092072

IUPAC1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone
SMILESCOc1ncccc1C(=O)CC1CCOCC1
InChIInChI=1S/C13H17NO3/c1-16-13-11(3-2-6-14-13)12(15)9-10-4-7-17-8-5-10/h2-3,6,10H,4-5,7-9H2,1H3
InChIKeyCUMCXOLXDQZIIR-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.09
Rot. Bonds4

About 1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone

1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone (PubChem CID 105092072) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone
PubChem CID105092072
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone
SMILESCOc1ncccc1C(=O)CC1CCOCC1
InChIInChI=1S/C13H17NO3/c1-16-13-11(3-2-6-14-13)12(15)9-10-4-7-17-8-5-10/h2-3,6,10H,4-5,7-9H2,1H3
InChIKeyCUMCXOLXDQZIIR-UHFFFAOYSA-N
XLogP2.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxan-4-yl)-1-quinolin-5-ylethanone
CID 105092025
3-cyclohexyl-1-(2-methoxy-3-pyridinyl)propan-1-one
CID 114192802
2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 90554677
1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94178810
(2-methoxy-3-pyridinyl)-[(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124791148
(2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124791149
2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 90610942
1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone
CID 106790346
1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone
CID 114969178
2-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide
CID 122276276
1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 105087086
N-[(4-aminocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 106124683

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone (CID 105092072) is 1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone is COc1ncccc1C(=O)CC1CCOCC1.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone?
The InChIKey is CUMCXOLXDQZIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-13-11(3-2-6-14-13)12(15)9-10-4-7-17-8-5-10/h2-3,6,10H,4-5,7-9H2,1H3.
What are the key properties of 1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone?
1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone has a molecular weight of 235.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 105092072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).