methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate

C13H18N2O3 — CID 133491968

IUPACmethyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC2C)nc1OC
InChIInChI=1S/C13H18N2O3/c1-9-5-4-8-15(9)11-7-6-10(13(16)18-3)12(14-11)17-2/h6-7,9H,4-5,8H2,1-3H3
InChIKeySTOHXBUDRMWGAP-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.87
Rot. Bonds3

About methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate

methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate (PubChem CID 133491968) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate
PubChem CID133491968
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC2C)nc1OC
InChIInChI=1S/C13H18N2O3/c1-9-5-4-8-15(9)11-7-6-10(13(16)18-3)12(14-11)17-2/h6-7,9H,4-5,8H2,1-3H3
InChIKeySTOHXBUDRMWGAP-UHFFFAOYSA-N
XLogP1.87
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate (CID 133491968) is methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate is COC(=O)c1ccc(N2CCCC2C)nc1OC.
What is the InChIKey of methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate?
The InChIKey is STOHXBUDRMWGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-5-4-8-15(9)11-7-6-10(13(16)18-3)12(14-11)17-2/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate?
methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 133491968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).