methoxymethane;methyl 6-formyl-5-methoxy-1-(2-methoxyoxolan-3-yl)-4-oxopyridine-3-carboxylate

C16H23NO8 — CID 145112106

IUPACmethoxymethane;methyl 6-formyl-5-methoxy-1-(2-methoxyoxolan-3-yl)-4-oxopyridine-3-carboxylate
SMILESCOC.COC(=O)c1cn(C2CCOC2OC)c(C=O)c(OC)c1=O
InChIInChI=1S/C14H17NO7.C2H6O/c1-19-12-10(7-16)15(9-4-5-22-14(9)21-3)6-8(11(12)17)13(18)20-2;1-3-2/h6-7,9,14H,4-5H2,1-3H3;1-2H3
InChIKeyGCDOWDXYALGGTJ-UHFFFAOYSA-N
MW357.36 g/mol
LogP0.65
Rot. Bonds5

About methoxymethane;methyl 6-formyl-5-methoxy-1-(2-methoxyoxolan-3-yl)-4-oxopyridine-3-carboxylate

methoxymethane;methyl 6-formyl-5-methoxy-1-(2-methoxyoxolan-3-yl)-4-oxopyridine-3-carboxylate (PubChem CID 145112106) has the molecular formula C16H23NO8 and a molecular weight of 357.36 g/mol. Its IUPAC name is methoxymethane;methyl 6-formyl-5-methoxy-1-(2-methoxyoxolan-3-yl)-4-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethoxymethane;methyl 6-formyl-5-methoxy-1-(2-methoxyoxolan-3-yl)-4-oxopyridine-3-carboxylate
PubChem CID145112106
Molecular FormulaC16H23NO8
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Namemethoxymethane;methyl 6-formyl-5-methoxy-1-(2-methoxyoxolan-3-yl)-4-oxopyridine-3-carboxylate
SMILESCOC.COC(=O)c1cn(C2CCOC2OC)c(C=O)c(OC)c1=O
InChIInChI=1S/C14H17NO7.C2H6O/c1-19-12-10(7-16)15(9-4-5-22-14(9)21-3)6-8(11(12)17)13(18)20-2;1-3-2/h6-7,9,14H,4-5H2,1-3H3;1-2H3
InChIKeyGCDOWDXYALGGTJ-UHFFFAOYSA-N
XLogP0.65
TPSA102.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze methoxymethane;methyl 6-formyl-5-methoxy-1-(2-methoxyoxolan-3-yl)-4-oxopyridine-3-carboxylate with MolForge

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Related Compounds

methyl (2R,6S)-7-ethyl-10-methoxy-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylate
CID 121422144
methyl 1-[(3R)-2-hydroxyoxolan-3-yl]-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate
CID 121422097
(1S,5R,9R)-13-methoxy-9-methyl-11,14-dioxo-6-oxa-10,17-diazatetracyclo[8.7.1.05,18.012,17]octadeca-12,15-diene-15-carboxylic acid
CID 163977804
dimethyl 3-methoxy-4-oxo-1-[(3R,4S)-4-(phenylmethoxycarbonylamino)oxolan-3-yl]pyridine-2,5-dicarboxylate
CID 121424484
methyl 1-(oxolan-2-yl)indole-3-carboxylate
CID 122385558
(2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid
CID 121422051
dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate
CID 126633344
6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid
CID 142624853
5-O-methyl 2-O-propan-2-yl 3-methoxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-2,5-dicarboxylate
CID 129065867
methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137450552
trimethyl pyrrole-1,3,4-tricarboxylate
CID 91734196
methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate
CID 139390457

Frequently Asked Questions

What is the IUPAC name of methoxymethane;methyl 6-formyl-5-methoxy-1-(2-methoxyoxolan-3-yl)-4-oxopyridine-3-carboxylate?
The IUPAC name of methoxymethane;methyl 6-formyl-5-methoxy-1-(2-methoxyoxolan-3-yl)-4-oxopyridine-3-carboxylate (CID 145112106) is methoxymethane;methyl 6-formyl-5-methoxy-1-(2-methoxyoxolan-3-yl)-4-oxopyridine-3-carboxylate.
What is the SMILES notation for methoxymethane;methyl 6-formyl-5-methoxy-1-(2-methoxyoxolan-3-yl)-4-oxopyridine-3-carboxylate?
The canonical SMILES for methoxymethane;methyl 6-formyl-5-methoxy-1-(2-methoxyoxolan-3-yl)-4-oxopyridine-3-carboxylate is COC.COC(=O)c1cn(C2CCOC2OC)c(C=O)c(OC)c1=O.
What is the InChIKey of methoxymethane;methyl 6-formyl-5-methoxy-1-(2-methoxyoxolan-3-yl)-4-oxopyridine-3-carboxylate?
The InChIKey is GCDOWDXYALGGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO7.C2H6O/c1-19-12-10(7-16)15(9-4-5-22-14(9)21-3)6-8(11(12)17)13(18)20-2;1-3-2/h6-7,9,14H,4-5H2,1-3H3;1-2H3.
What are the key properties of methoxymethane;methyl 6-formyl-5-methoxy-1-(2-methoxyoxolan-3-yl)-4-oxopyridine-3-carboxylate?
methoxymethane;methyl 6-formyl-5-methoxy-1-(2-methoxyoxolan-3-yl)-4-oxopyridine-3-carboxylate has a molecular weight of 357.36 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;methyl 6-formyl-5-methoxy-1-(2-methoxyoxolan-3-yl)-4-oxopyridine-3-carboxylate is sourced from PubChem (CID 145112106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).