dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate

C13H16N2O4 — CID 138673928

IUPACdimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate
SMILESCOC(=O)c1cc(N2CCCC2)cc(C(=O)OC)n1
InChIInChI=1S/C13H16N2O4/c1-18-12(16)10-7-9(15-5-3-4-6-15)8-11(14-10)13(17)19-2/h7-8H,3-6H2,1-2H3
InChIKeyDRGORXPZWKWYAI-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.25
Rot. Bonds3

About dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate

dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate (PubChem CID 138673928) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate
PubChem CID138673928
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namedimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate
SMILESCOC(=O)c1cc(N2CCCC2)cc(C(=O)OC)n1
InChIInChI=1S/C13H16N2O4/c1-18-12(16)10-7-9(15-5-3-4-6-15)8-11(14-10)13(17)19-2/h7-8H,3-6H2,1-2H3
InChIKeyDRGORXPZWKWYAI-UHFFFAOYSA-N
XLogP1.25
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylate
CID 87349798
2-N,6-N-dimethyl-4-piperidin-1-ylpyridine-2,6-dicarboxamide
CID 13235645
4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride
CID 101420002
methyl 6-piperidin-1-ylquinoline-2-carboxylate
CID 82247475
methyl 2-(azetidin-1-yl)-6-oxo-1H-pyrimidine-4-carboxylate
CID 165494609
methyl 1-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylate
CID 168512721
dimethyl 3-hydroxy-5-pyrrolidin-1-ylbenzene-1,2-dicarboxylate
CID 12785601
methyl 3-(aminomethyl)-5-pyrrolidin-1-ylbenzoate
CID 118394765
methyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate
CID 171084326
tert-butyl 4-(2-chloro-6-methoxycarbonyl-4-pyridinyl)piperazine-1-carboxylate
CID 178116339
methyl 6-amino-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrimidine-4-carboxylate
CID 146045344
ethanamine;methyl 3-fluoro-5-piperidin-1-ylbenzoate
CID 176932758

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate?
The IUPAC name of dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate (CID 138673928) is dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate?
The canonical SMILES for dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate is COC(=O)c1cc(N2CCCC2)cc(C(=O)OC)n1.
What is the InChIKey of dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate?
The InChIKey is DRGORXPZWKWYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-18-12(16)10-7-9(15-5-3-4-6-15)8-11(14-10)13(17)19-2/h7-8H,3-6H2,1-2H3.
What are the key properties of dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate?
dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate is sourced from PubChem (CID 138673928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).