1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-(pyridin-2-yloxymethyl)pyridin-2-one

C22H24N2O5 — CID 58580251

IUPAC1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-(pyridin-2-yloxymethyl)pyridin-2-one
SMILESCOc1cc(-n2ccc(COc3ccccn3)cc2=O)ccc1OCC(C)(C)O
InChIInChI=1S/C22H24N2O5/c1-22(2,26)15-29-18-8-7-17(13-19(18)27-3)24-11-9-16(12-21(24)25)14-28-20-6-4-5-10-23-20/h4-13,26H,14-15H2,1-3H3
InChIKeyZICDKHDGRXIGBS-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.97
Rot. Bonds8

About 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-(pyridin-2-yloxymethyl)pyridin-2-one

1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-(pyridin-2-yloxymethyl)pyridin-2-one (PubChem CID 58580251) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-(pyridin-2-yloxymethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-(pyridin-2-yloxymethyl)pyridin-2-one
PubChem CID58580251
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-(pyridin-2-yloxymethyl)pyridin-2-one
SMILESCOc1cc(-n2ccc(COc3ccccn3)cc2=O)ccc1OCC(C)(C)O
InChIInChI=1S/C22H24N2O5/c1-22(2,26)15-29-18-8-7-17(13-19(18)27-3)24-11-9-16(12-21(24)25)14-28-20-6-4-5-10-23-20/h4-13,26H,14-15H2,1-3H3
InChIKeyZICDKHDGRXIGBS-UHFFFAOYSA-N
XLogP2.97
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6-tert-butylpyridin-3-yl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylamide
CID 10215323
3-(5-tert-butylpyridin-2-yl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylamide
CID 11233046
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(6-(trifluoromethyl)pyridin-3-yl)acrylamide
CID 11439510
N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 743159
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 9438872
6-Pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)pyridin-2-one
CID 71699330
US9586900, Example 34
CID 73388012
US9586900, Example 36
CID 118282521
US9586900, Example 38
CID 118282522
3,4-Diethoxy-N-(4-pyridinylmethylene)benzenamine monohydrochloride
CID 3058417
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 38625784
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2,2-dimethylpropanamide
CID 38627193

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-(pyridin-2-yloxymethyl)pyridin-2-one?
The IUPAC name of 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-(pyridin-2-yloxymethyl)pyridin-2-one (CID 58580251) is 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-(pyridin-2-yloxymethyl)pyridin-2-one.
What is the SMILES notation for 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-(pyridin-2-yloxymethyl)pyridin-2-one?
The canonical SMILES for 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-(pyridin-2-yloxymethyl)pyridin-2-one is COc1cc(-n2ccc(COc3ccccn3)cc2=O)ccc1OCC(C)(C)O.
What is the InChIKey of 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-(pyridin-2-yloxymethyl)pyridin-2-one?
The InChIKey is ZICDKHDGRXIGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-22(2,26)15-29-18-8-7-17(13-19(18)27-3)24-11-9-16(12-21(24)25)14-28-20-6-4-5-10-23-20/h4-13,26H,14-15H2,1-3H3.
What are the key properties of 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-(pyridin-2-yloxymethyl)pyridin-2-one?
1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-(pyridin-2-yloxymethyl)pyridin-2-one has a molecular weight of 396.44 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-(pyridin-2-yloxymethyl)pyridin-2-one is sourced from PubChem (CID 58580251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).