[4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate

C20H24N2O9 — CID 134845959

IUPAC[4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate
SMILESCOCCOc1cc(=O)n(C)cc1C(=O)OC(=O)c1cn(C)c(=O)cc1OCCOC
InChIInChI=1S/C20H24N2O9/c1-21-11-13(15(9-17(21)23)29-7-5-27-3)19(25)31-20(26)14-12-22(2)18(24)10-16(14)30-8-6-28-4/h9-12H,5-8H2,1-4H3
InChIKeyXPWUHXIXPPVRKT-UHFFFAOYSA-N
MW436.42 g/mol
LogP0.13
Rot. Bonds10

About [4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate

[4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate (PubChem CID 134845959) has the molecular formula C20H24N2O9 and a molecular weight of 436.42 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate
PubChem CID134845959
Molecular FormulaC20H24N2O9
Molecular Weight436.42 g/mol
Exact Mass436.15
IUPAC Name[4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate
SMILESCOCCOc1cc(=O)n(C)cc1C(=O)OC(=O)c1cn(C)c(=O)cc1OCCOC
InChIInChI=1S/C20H24N2O9/c1-21-11-13(15(9-17(21)23)29-7-5-27-3)19(25)31-20(26)14-12-22(2)18(24)10-16(14)30-8-6-28-4/h9-12H,5-8H2,1-4H3
InChIKeyXPWUHXIXPPVRKT-UHFFFAOYSA-N
XLogP0.13
TPSA124.29 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.42
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethoxy)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 132532959
N-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 132532956
ethyl 7-(2-methoxyethoxy)-1,4-dimethyl-2-oxoquinoline-6-carboxylate
CID 142034622
dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
CID 59569387
1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one
CID 67337211
4-methoxy-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 91813988
methyl 3-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate
CID 54181784
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxy-1-methyl-6-oxopyridine-3-carboxamide
CID 121016938
methyl 2,3-bis(2-methoxyethoxy)benzoate
CID 66888836
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
CID 66876535

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate?
The IUPAC name of [4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate (CID 134845959) is [4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for [4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for [4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate is COCCOc1cc(=O)n(C)cc1C(=O)OC(=O)c1cn(C)c(=O)cc1OCCOC.
What is the InChIKey of [4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate?
The InChIKey is XPWUHXIXPPVRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O9/c1-21-11-13(15(9-17(21)23)29-7-5-27-3)19(25)31-20(26)14-12-22(2)18(24)10-16(14)30-8-6-28-4/h9-12H,5-8H2,1-4H3.
What are the key properties of [4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate?
[4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate has a molecular weight of 436.42 g/mol, XLogP of 0.13, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 134845959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).