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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Related Compounds

1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122058782
methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate
CID 133492503
methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate
CID 133490158
methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate
CID 133487964
methyl 2-methoxy-6-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]pyridine-3-carboxylate
CID 133489015
methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
CID 100685192
methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 115423691
methyl 6-[(E)-3-cyclopentylprop-2-enoyl]-2-methoxypyridine-3-carboxylate
CID 66682777
methyl 2-methyl-6-(3-methylmorpholin-4-yl)pyridine-3-carboxylate
CID 133418545
methyl 6-[cyclohexyl(methyl)amino]-2-methoxypyridine-3-carboxylate
CID 133487931
methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
CID 133488083
[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid
CID 170319554

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).