methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate

C17H20N2O3 — CID 11623587

IUPACmethyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(CCO)Cc2cccnc2)cc1
InChIInChI=1S/C17H20N2O3/c1-22-17(21)16-6-4-14(5-7-16)12-19(9-10-20)13-15-3-2-8-18-11-15/h2-8,11,20H,9-10,12-13H2,1H3
InChIKeyGVWLWTIUJRRGIF-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.86
Rot. Bonds7

About methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate

methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate (PubChem CID 11623587) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate
PubChem CID11623587
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(CCO)Cc2cccnc2)cc1
InChIInChI=1S/C17H20N2O3/c1-22-17(21)16-6-4-14(5-7-16)12-19(9-10-20)13-15-3-2-8-18-11-15/h2-8,11,20H,9-10,12-13H2,1H3
InChIKeyGVWLWTIUJRRGIF-UHFFFAOYSA-N
XLogP1.86
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate 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

methyl 4-(2-pyridin-3-ylethyl)benzoate
CID 19419104
methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 95281906
N-(2-aminophenyl)-4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 11494562
methyl 4-[[[(2S)-2-amino-2-phenylacetyl]-(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 139608966
methyl 4-[[[(2R)-2-aminopentanethioyl]-(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 139608846
methyl 4-[[[(2S)-2-aminopentanethioyl]-(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 139608880
4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide
CID 111110287
(111C)methyl pyridine-3-carboxylate
CID 11309537
4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 91784965
3-[(4-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82327660
5-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
CID 46953737
methyl 4-[[pyridin-3-yl(1,3-thiazol-2-yl)amino]methyl]benzoate
CID 90950603

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate (CID 11623587) is methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate is COC(=O)c1ccc(CN(CCO)Cc2cccnc2)cc1.
What is the InChIKey of methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate?
The InChIKey is GVWLWTIUJRRGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-22-17(21)16-6-4-14(5-7-16)12-19(9-10-20)13-15-3-2-8-18-11-15/h2-8,11,20H,9-10,12-13H2,1H3.
What are the key properties of methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate?
methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate has a molecular weight of 300.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate is sourced from PubChem (CID 11623587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).