5-[2-[benzyl(methyl)amino]ethoxycarbonyl]pyridine-3-carboxylic acid;hydrochloride

C17H19ClN2O4 — CID 175767886

IUPAC5-[2-[benzyl(methyl)amino]ethoxycarbonyl]pyridine-3-carboxylic acid;hydrochloride
SMILESCN(CCOC(=O)c1cncc(C(=O)O)c1)Cc1ccccc1.Cl
InChIInChI=1S/C17H18N2O4.ClH/c1-19(12-13-5-3-2-4-6-13)7-8-23-17(22)15-9-14(16(20)21)10-18-11-15;/h2-6,9-11H,7-8,12H2,1H3,(H,20,21);1H
InChIKeyZOQKUZCRBJSURB-UHFFFAOYSA-N
MW350.80 g/mol
LogP2.49
Rot. Bonds7

About 5-[2-[benzyl(methyl)amino]ethoxycarbonyl]pyridine-3-carboxylic acid;hydrochloride

5-[2-[benzyl(methyl)amino]ethoxycarbonyl]pyridine-3-carboxylic acid;hydrochloride (PubChem CID 175767886) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is 5-[2-[benzyl(methyl)amino]ethoxycarbonyl]pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-[2-[benzyl(methyl)amino]ethoxycarbonyl]pyridine-3-carboxylic acid;hydrochloride
PubChem CID175767886
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Name5-[2-[benzyl(methyl)amino]ethoxycarbonyl]pyridine-3-carboxylic acid;hydrochloride
SMILESCN(CCOC(=O)c1cncc(C(=O)O)c1)Cc1ccccc1.Cl
InChIInChI=1S/C17H18N2O4.ClH/c1-19(12-13-5-3-2-4-6-13)7-8-23-17(22)15-9-14(16(20)21)10-18-11-15;/h2-6,9-11H,7-8,12H2,1H3,(H,20,21);1H
InChIKeyZOQKUZCRBJSURB-UHFFFAOYSA-N
XLogP2.49
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[benzyl(methyl)amino]ethoxycarbonyl]pyridine-3-carboxylic acid;hydrochloride 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

dibenzyl pyridine-3,5-dicarboxylate
CID 71230133
2-[benzyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 661562
bis[3-[benzyl(methyl)amino]propyl] carbonate;hydrate;dihydrochloride
CID 18944361
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzoic acid
CID 43563550
bis[3-[benzyl(methyl)amino]propyl] carbonate
CID 18944362
2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate
CID 2908391
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991
N-[(5-ethyl-3-pyridinyl)methyl]-N-methyl-1-phenylmethanamine
CID 71051284
3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486667
4-[[methyl-[(5-methyl-3-pyridinyl)methyl]amino]methyl]benzoic acid
CID 102877423

Frequently Asked Questions

What is the IUPAC name of 5-[2-[benzyl(methyl)amino]ethoxycarbonyl]pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 5-[2-[benzyl(methyl)amino]ethoxycarbonyl]pyridine-3-carboxylic acid;hydrochloride (CID 175767886) is 5-[2-[benzyl(methyl)amino]ethoxycarbonyl]pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-[2-[benzyl(methyl)amino]ethoxycarbonyl]pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 5-[2-[benzyl(methyl)amino]ethoxycarbonyl]pyridine-3-carboxylic acid;hydrochloride is CN(CCOC(=O)c1cncc(C(=O)O)c1)Cc1ccccc1.Cl.
What is the InChIKey of 5-[2-[benzyl(methyl)amino]ethoxycarbonyl]pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is ZOQKUZCRBJSURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4.ClH/c1-19(12-13-5-3-2-4-6-13)7-8-23-17(22)15-9-14(16(20)21)10-18-11-15;/h2-6,9-11H,7-8,12H2,1H3,(H,20,21);1H.
What are the key properties of 5-[2-[benzyl(methyl)amino]ethoxycarbonyl]pyridine-3-carboxylic acid;hydrochloride?
5-[2-[benzyl(methyl)amino]ethoxycarbonyl]pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 350.80 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[benzyl(methyl)amino]ethoxycarbonyl]pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 175767886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).