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

C13H18N2O3 — CID 103534314

IUPAC2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCOC1CCN(c2nc(C)cc(C)c2C(=O)O)C1
InChIInChI=1S/C13H18N2O3/c1-8-6-9(2)14-12(11(8)13(16)17)15-5-4-10(7-15)18-3/h6,10H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyGSUTYGQJPGEWFX-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.62
Rot. Bonds3

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

2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 103534314) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID103534314
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCOC1CCN(c2nc(C)cc(C)c2C(=O)O)C1
InChIInChI=1S/C13H18N2O3/c1-8-6-9(2)14-12(11(8)13(16)17)15-5-4-10(7-15)18-3/h6,10H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyGSUTYGQJPGEWFX-UHFFFAOYSA-N
XLogP1.62
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 103533634
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 112731118
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid
CID 81464871
4,6-dimethyl-2-(4-methylazepan-1-yl)pyridine-3-carboxylic acid
CID 63626870
2-(3,4-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 55216937
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate
CID 78920412
2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 102957969
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 103356454
4,6-dimethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 102744167
2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 107392995
2-(4-acetyl-1,4-diazepan-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 60702083
2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine
CID 154661534

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid (CID 103534314) is 2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid is COC1CCN(c2nc(C)cc(C)c2C(=O)O)C1.
What is the InChIKey of 2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is GSUTYGQJPGEWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-6-9(2)14-12(11(8)13(16)17)15-5-4-10(7-15)18-3/h6,10H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 103534314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).