ethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate

C17H24ClN3O3 — CID 59242143

IUPACethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(NCCC(=O)N2CCC(C)CC2)c(Cl)c1
InChIInChI=1S/C17H24ClN3O3/c1-3-24-17(23)13-10-14(18)16(20-11-13)19-7-4-15(22)21-8-5-12(2)6-9-21/h10-12H,3-9H2,1-2H3,(H,19,20)
InChIKeyCOMIMYOOCZNPTG-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.97
Rot. Bonds6

About ethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate

ethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate (PubChem CID 59242143) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is ethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate
PubChem CID59242143
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Nameethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(NCCC(=O)N2CCC(C)CC2)c(Cl)c1
InChIInChI=1S/C17H24ClN3O3/c1-3-24-17(23)13-10-14(18)16(20-11-13)19-7-4-15(22)21-8-5-12(2)6-9-21/h10-12H,3-9H2,1-2H3,(H,19,20)
InChIKeyCOMIMYOOCZNPTG-UHFFFAOYSA-N
XLogP2.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate (CID 59242143) is ethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate is CCOC(=O)c1cnc(NCCC(=O)N2CCC(C)CC2)c(Cl)c1.
What is the InChIKey of ethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate?
The InChIKey is COMIMYOOCZNPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-3-24-17(23)13-10-14(18)16(20-11-13)19-7-4-15(22)21-8-5-12(2)6-9-21/h10-12H,3-9H2,1-2H3,(H,19,20).
What are the key properties of ethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate?
ethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate has a molecular weight of 353.85 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 59242143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).