ethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3-carboxylate

C18H21ClN2O3 — CID 14271910

IUPACethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2Cl)cc(C)nc1COCCN
InChIInChI=1S/C18H21ClN2O3/c1-3-24-18(22)17-14(13-6-4-5-7-15(13)19)10-12(2)21-16(17)11-23-9-8-20/h4-7,10H,3,8-9,11,20H2,1-2H3
InChIKeyTUTUEETZLBOKJD-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.36
Rot. Bonds7

About ethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3-carboxylate

ethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3-carboxylate (PubChem CID 14271910) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is ethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3-carboxylate
PubChem CID14271910
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Nameethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2Cl)cc(C)nc1COCCN
InChIInChI=1S/C18H21ClN2O3/c1-3-24-18(22)17-14(13-6-4-5-7-15(13)19)10-12(2)21-16(17)11-23-9-8-20/h4-7,10H,3,8-9,11,20H2,1-2H3
InChIKeyTUTUEETZLBOKJD-UHFFFAOYSA-N
XLogP3.36
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3-carboxylate 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-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid
CID 14271881
ethyl 6-chloro-4-(2-chlorophenyl)pyridine-3-carboxylate
CID 87890311
2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-pyridinyl]methoxy]acetic acid
CID 14271878
ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate
CID 116647802
diethyl 2-(2-chlorophenyl)-5-(4-chlorophenyl)benzene-1,4-dicarboxylate
CID 138461804
ethyl 5-(2-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 141465693
ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 22437391
ethyl 2-amino-4-[(2-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851197
ethyl 3-(2-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 55191222
ethyl 2-chloro-8-phenylcyclohepta[b]pyrrole-3-carboxylate
CID 10614988
ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445075
CID 126963619
CID 126963619

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3-carboxylate (CID 14271910) is ethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2Cl)cc(C)nc1COCCN.
What is the InChIKey of ethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3-carboxylate?
The InChIKey is TUTUEETZLBOKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-3-24-18(22)17-14(13-6-4-5-7-15(13)19)10-12(2)21-16(17)11-23-9-8-20/h4-7,10H,3,8-9,11,20H2,1-2H3.
What are the key properties of ethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3-carboxylate?
ethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3-carboxylate has a molecular weight of 348.83 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 14271910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).