4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid

C13H20N2O3 — CID 114942705

IUPAC4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCCOC(C)(C)CNc1cc(C)ncc1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-5-18-13(3,4)8-15-11-6-9(2)14-7-10(11)12(16)17/h6-7H,5,8H2,1-4H3,(H,14,15)(H,16,17)
InChIKeySKAOOLLYUQHLSQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.32
Rot. Bonds6

About 4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid

4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid (PubChem CID 114942705) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
PubChem CID114942705
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCCOC(C)(C)CNc1cc(C)ncc1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-5-18-13(3,4)8-15-11-6-9(2)14-7-10(11)12(16)17/h6-7H,5,8H2,1-4H3,(H,14,15)(H,16,17)
InChIKeySKAOOLLYUQHLSQ-UHFFFAOYSA-N
XLogP2.32
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid (CID 114942705) is 4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid is CCOC(C)(C)CNc1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is SKAOOLLYUQHLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-18-13(3,4)8-15-11-6-9(2)14-7-10(11)12(16)17/h6-7H,5,8H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid?
4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 114942705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).