6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid

C12H18N2O3 — CID 81057242

IUPAC6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
SMILESCCOCCN(C)Cc1ccc(C(=O)O)cn1
InChIInChI=1S/C12H18N2O3/c1-3-17-7-6-14(2)9-11-5-4-10(8-13-11)12(15)16/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,16)
InChIKeyLBEHYGVCHAXCEB-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.25
Rot. Bonds7

About 6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid

6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid (PubChem CID 81057242) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
PubChem CID81057242
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
SMILESCCOCCN(C)Cc1ccc(C(=O)O)cn1
InChIInChI=1S/C12H18N2O3/c1-3-17-7-6-14(2)9-11-5-4-10(8-13-11)12(15)16/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,16)
InChIKeyLBEHYGVCHAXCEB-UHFFFAOYSA-N
XLogP1.25
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[[2-ethoxyethyl(methyl)amino]methyl]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-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid
CID 114127595
6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid
CID 103486126
4-[2-ethoxyethyl(methyl)amino]-3,5-difluorobenzoic acid
CID 81055654
3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 81058005
2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 81056894
4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid
CID 81055547
6-[[(5-carboxy-2-pyridinyl)methyl-[(5-formyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylic acid;methanol
CID 142289209
methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate
CID 107200733
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-3-carboxamide
CID 63690796
3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide
CID 90652400
6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide
CID 158651359
N-[(5-ethyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine
CID 90369559

Frequently Asked Questions

What is the IUPAC name of 6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid (CID 81057242) is 6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid is CCOCCN(C)Cc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid?
The InChIKey is LBEHYGVCHAXCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-17-7-6-14(2)9-11-5-4-10(8-13-11)12(15)16/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,16).
What are the key properties of 6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid?
6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 81057242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).