6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid

C13H18N2O3 — CID 61101138

IUPAC6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid
SMILESCN1CCCC1CCOc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H18N2O3/c1-15-7-2-3-11(15)6-8-18-12-5-4-10(9-14-12)13(16)17/h4-5,9,11H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyCHZCYCSGVWZNCB-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.64
Rot. Bonds5

About 6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid

6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid (PubChem CID 61101138) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid
PubChem CID61101138
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid
SMILESCN1CCCC1CCOc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H18N2O3/c1-15-7-2-3-11(15)6-8-18-12-5-4-10(9-14-12)13(16)17/h4-5,9,11H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyCHZCYCSGVWZNCB-UHFFFAOYSA-N
XLogP1.64
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 65471120
3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 61100979
6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid
CID 19034100
1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone
CID 106202164
N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 62323923
3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzoic acid
CID 107912359
6-(cyclopentylmethoxy)pyridine-3-carboxylic acid
CID 66324302
3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine
CID 61269546
2-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 79510932
methyl 3-amino-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoate
CID 61305476
3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide
CID 82999437

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid (CID 61101138) is 6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid is CN1CCCC1CCOc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid?
The InChIKey is CHZCYCSGVWZNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15-7-2-3-11(15)6-8-18-12-5-4-10(9-14-12)13(16)17/h4-5,9,11H,2-3,6-8H2,1H3,(H,16,17).
What are the key properties of 6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid?
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 61101138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).