methyl 2-(dimethoxymethyl)-6-(methylamino)pyridine-3-carboxylate

C11H16N2O4 — CID 138608627

IUPACmethyl 2-(dimethoxymethyl)-6-(methylamino)pyridine-3-carboxylate
SMILESCNc1ccc(C(=O)OC)c(C(OC)OC)n1
InChIInChI=1S/C11H16N2O4/c1-12-8-6-5-7(10(14)15-2)9(13-8)11(16-3)17-4/h5-6,11H,1-4H3,(H,12,13)
InChIKeyLPASTXKQELNAQS-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.20
Rot. Bonds5

About methyl 2-(dimethoxymethyl)-6-(methylamino)pyridine-3-carboxylate

methyl 2-(dimethoxymethyl)-6-(methylamino)pyridine-3-carboxylate (PubChem CID 138608627) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-(dimethoxymethyl)-6-(methylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(dimethoxymethyl)-6-(methylamino)pyridine-3-carboxylate
PubChem CID138608627
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 2-(dimethoxymethyl)-6-(methylamino)pyridine-3-carboxylate
SMILESCNc1ccc(C(=O)OC)c(C(OC)OC)n1
InChIInChI=1S/C11H16N2O4/c1-12-8-6-5-7(10(14)15-2)9(13-8)11(16-3)17-4/h5-6,11H,1-4H3,(H,12,13)
InChIKeyLPASTXKQELNAQS-UHFFFAOYSA-N
XLogP1.20
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine
CID 138608597
3-cyano-6-(dimethoxymethyl)-5-methoxycarbonylpyridine-2-thiolate
CID 6927268
methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130095660
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate
CID 121333803
propyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate
CID 139807107
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
methyl 7-chloro-2-(methylamino)quinoline-4-carboxylate
CID 84634022
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
methyl 2-methyl-6-propan-2-ylpyridine-3-carboxylate
CID 121218957
methyl 2-phosphanylbenzoate
CID 156736008

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethoxymethyl)-6-(methylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(dimethoxymethyl)-6-(methylamino)pyridine-3-carboxylate (CID 138608627) is methyl 2-(dimethoxymethyl)-6-(methylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(dimethoxymethyl)-6-(methylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(dimethoxymethyl)-6-(methylamino)pyridine-3-carboxylate is CNc1ccc(C(=O)OC)c(C(OC)OC)n1.
What is the InChIKey of methyl 2-(dimethoxymethyl)-6-(methylamino)pyridine-3-carboxylate?
The InChIKey is LPASTXKQELNAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-12-8-6-5-7(10(14)15-2)9(13-8)11(16-3)17-4/h5-6,11H,1-4H3,(H,12,13).
What are the key properties of methyl 2-(dimethoxymethyl)-6-(methylamino)pyridine-3-carboxylate?
methyl 2-(dimethoxymethyl)-6-(methylamino)pyridine-3-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethoxymethyl)-6-(methylamino)pyridine-3-carboxylate is sourced from PubChem (CID 138608627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).