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

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Related Compounds

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CID 11561528
Ethyl 5-chloro-6-(4-{[(3-chlorophenyl)amino]carbonyl}piperazin-1-yl)nicotinate
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Ethyl 5-chloro-6-[4-({[1-(3-isopropenylphenyl)-1methylethyl]amino}carbonyl)piperazin-1-yl]nicotinate
CID 24750561
Ethyl 6-{4-[(benzoylamino)carbonothioyl]piperazin-1-yl}-5-chloronicotinate
CID 24751017
Ethyl 5-chloro-6-(4-{[(3,4-dichlorobenzyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 24751576
Ethyl 5-chloro-6-(4-{[(2-methylbenzyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 24751577
Ethyl 5-chloro-6-(4-{[(4-methylbenzyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 24751710
Ethyl 5-chloro-6-(4-{[(3-methylphenyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 24751850
Ethyl 5-chloro-6-(4-{[(4-chlorophenyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 24751851
ethyl 5-chloro-6-[4-({[(1S)-1-phenylethyl]amino}carbonyl)piperazin-1-yl]nicotinate
CID 24751996
Ethyl 5-chloro-6-(4-{[(4-methylphenyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 24751998
Ethyl 6-[4-(anilinocarbonyl)piperazin-1-yl]-5-chloronicotinate
CID 54586076

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).