4-(3,4-dimethoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid

C14H20N2O4 — CID 103540185

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCOC1CN(c2cc(C)nc(C)c2C(=O)O)CC1OC
InChIInChI=1S/C14H20N2O4/c1-8-5-10(13(14(17)18)9(2)15-8)16-6-11(19-3)12(7-16)20-4/h5,11-12H,6-7H2,1-4H3,(H,17,18)
InChIKeyGYRDJBJSKSVGEZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.25
Rot. Bonds4

About 4-(3,4-dimethoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid

4-(3,4-dimethoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 103540185) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID103540185
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCOC1CN(c2cc(C)nc(C)c2C(=O)O)CC1OC
InChIInChI=1S/C14H20N2O4/c1-8-5-10(13(14(17)18)9(2)15-8)16-6-11(19-3)12(7-16)20-4/h5,11-12H,6-7H2,1-4H3,(H,17,18)
InChIKeyGYRDJBJSKSVGEZ-UHFFFAOYSA-N
XLogP1.25
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid
CID 106589535
4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052987
4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053376
4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81037183
4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid
CID 81037184
4-(2,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 114087919
2,6-dimethyl-4-(2,3,5-trimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114597248
4-(2,5-dimethylmorpholin-4-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053763
2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid
CID 81052989
2-(3,4-dimethoxypyrrolidin-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 103534362
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 82752709
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
CID 103533946

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid (CID 103540185) is 4-(3,4-dimethoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid is COC1CN(c2cc(C)nc(C)c2C(=O)O)CC1OC.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is GYRDJBJSKSVGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-8-5-10(13(14(17)18)9(2)15-8)16-6-11(19-3)12(7-16)20-4/h5,11-12H,6-7H2,1-4H3,(H,17,18).
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid?
4-(3,4-dimethoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 103540185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).