methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate

C14H20N2O3 — CID 133492503

IUPACmethyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(C)C2C)nc1OC
InChIInChI=1S/C14H20N2O3/c1-9-7-8-16(10(9)2)12-6-5-11(14(17)19-4)13(15-12)18-3/h5-6,9-10H,7-8H2,1-4H3
InChIKeyNKTKAPZYSFYJMZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.11
Rot. Bonds3

About methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate

methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate (PubChem CID 133492503) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate
PubChem CID133492503
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(C)C2C)nc1OC
InChIInChI=1S/C14H20N2O3/c1-9-7-8-16(10(9)2)12-6-5-11(14(17)19-4)13(15-12)18-3/h5-6,9-10H,7-8H2,1-4H3
InChIKeyNKTKAPZYSFYJMZ-UHFFFAOYSA-N
XLogP2.11
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate (CID 133492503) is methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate is COC(=O)c1ccc(N2CCC(C)C2C)nc1OC.
What is the InChIKey of methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate?
The InChIKey is NKTKAPZYSFYJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-7-8-16(10(9)2)12-6-5-11(14(17)19-4)13(15-12)18-3/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate?
methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 133492503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).