3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid

C12H18N2O3 — CID 82961141

IUPAC3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCOCCN(c1cnccc1C(=O)O)C(C)C
InChIInChI=1S/C12H18N2O3/c1-9(2)14(6-7-17-3)11-8-13-5-4-10(11)12(15)16/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyUNRXOXDRLJOTDF-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.64
Rot. Bonds6

About 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid

3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 82961141) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID82961141
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCOCCN(c1cnccc1C(=O)O)C(C)C
InChIInChI=1S/C12H18N2O3/c1-9(2)14(6-7-17-3)11-8-13-5-4-10(11)12(15)16/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyUNRXOXDRLJOTDF-UHFFFAOYSA-N
XLogP1.64
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-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

3-[3-hydroxypropyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 105062664
3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid
CID 114288657
3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382575
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 82952199
4-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
CID 82948054
4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
CID 105067521
3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 82948128
2-[2-methoxyethyl(propan-2-yl)amino]-5-nitrobenzoic acid
CID 82951285
4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244358
6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid
CID 82950912
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
CID 82953192

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid (CID 82961141) is 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid is COCCN(c1cnccc1C(=O)O)C(C)C.
What is the InChIKey of 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is UNRXOXDRLJOTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(2)14(6-7-17-3)11-8-13-5-4-10(11)12(15)16/h4-5,8-9H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 82961141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).