3-(methoxymethoxy)-1-(methoxymethyl)-5-[(3-methyl-2-pyridinyl)methylsulfanyl]pyridin-2-one

C16H20N2O4S — CID 86731529

IUPAC3-(methoxymethoxy)-1-(methoxymethyl)-5-[(3-methyl-2-pyridinyl)methylsulfanyl]pyridin-2-one
SMILESCOCOc1cc(SCc2ncccc2C)cn(COC)c1=O
InChIInChI=1S/C16H20N2O4S/c1-12-5-4-6-17-14(12)9-23-13-7-15(22-11-21-3)16(19)18(8-13)10-20-2/h4-8H,9-11H2,1-3H3
InChIKeyWAUBSTNQLZBVAI-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.43
Rot. Bonds8

About 3-(methoxymethoxy)-1-(methoxymethyl)-5-[(3-methyl-2-pyridinyl)methylsulfanyl]pyridin-2-one

3-(methoxymethoxy)-1-(methoxymethyl)-5-[(3-methyl-2-pyridinyl)methylsulfanyl]pyridin-2-one (PubChem CID 86731529) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-(methoxymethoxy)-1-(methoxymethyl)-5-[(3-methyl-2-pyridinyl)methylsulfanyl]pyridin-2-one.

Molecular Properties

Compound Name3-(methoxymethoxy)-1-(methoxymethyl)-5-[(3-methyl-2-pyridinyl)methylsulfanyl]pyridin-2-one
PubChem CID86731529
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name3-(methoxymethoxy)-1-(methoxymethyl)-5-[(3-methyl-2-pyridinyl)methylsulfanyl]pyridin-2-one
SMILESCOCOc1cc(SCc2ncccc2C)cn(COC)c1=O
InChIInChI=1S/C16H20N2O4S/c1-12-5-4-6-17-14(12)9-23-13-7-15(22-11-21-3)16(19)18(8-13)10-20-2/h4-8H,9-11H2,1-3H3
InChIKeyWAUBSTNQLZBVAI-UHFFFAOYSA-N
XLogP2.43
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-benzylsulfanyl-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one
CID 86731541
2-[(4-bromophenyl)sulfanylmethyl]-3-methylpyridine;hydrochloride
CID 13058717
2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 115982471
2-ethyl-3-(methoxymethoxy)pyridine
CID 20598170
1-(methoxymethyl)-3-methylpyridin-2-one
CID 14787164
2-[[1-(2,2-dimethoxyethyl)tetrazol-5-yl]sulfanylmethyl]-3-methylpyridine
CID 115982457
2-[2-bromo-2-(3-methoxy-4-methylphenyl)ethyl]-3-methylpyridine
CID 66453543
2-methyl-3-[(3-methyl-2-pyridinyl)methylsulfanyl]aniline
CID 112650543
S-[(3-methyl-2-pyridinyl)methyl] propanethioate
CID 14109335
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
methyl 1-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazole-3-carboxylate
CID 112549863
2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine
CID 112650689

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-1-(methoxymethyl)-5-[(3-methyl-2-pyridinyl)methylsulfanyl]pyridin-2-one?
The IUPAC name of 3-(methoxymethoxy)-1-(methoxymethyl)-5-[(3-methyl-2-pyridinyl)methylsulfanyl]pyridin-2-one (CID 86731529) is 3-(methoxymethoxy)-1-(methoxymethyl)-5-[(3-methyl-2-pyridinyl)methylsulfanyl]pyridin-2-one.
What is the SMILES notation for 3-(methoxymethoxy)-1-(methoxymethyl)-5-[(3-methyl-2-pyridinyl)methylsulfanyl]pyridin-2-one?
The canonical SMILES for 3-(methoxymethoxy)-1-(methoxymethyl)-5-[(3-methyl-2-pyridinyl)methylsulfanyl]pyridin-2-one is COCOc1cc(SCc2ncccc2C)cn(COC)c1=O.
What is the InChIKey of 3-(methoxymethoxy)-1-(methoxymethyl)-5-[(3-methyl-2-pyridinyl)methylsulfanyl]pyridin-2-one?
The InChIKey is WAUBSTNQLZBVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12-5-4-6-17-14(12)9-23-13-7-15(22-11-21-3)16(19)18(8-13)10-20-2/h4-8H,9-11H2,1-3H3.
What are the key properties of 3-(methoxymethoxy)-1-(methoxymethyl)-5-[(3-methyl-2-pyridinyl)methylsulfanyl]pyridin-2-one?
3-(methoxymethoxy)-1-(methoxymethyl)-5-[(3-methyl-2-pyridinyl)methylsulfanyl]pyridin-2-one has a molecular weight of 336.41 g/mol, XLogP of 2.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-1-(methoxymethyl)-5-[(3-methyl-2-pyridinyl)methylsulfanyl]pyridin-2-one is sourced from PubChem (CID 86731529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).