5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide

C19H28ClN5O2 — CID 133293875

IUPAC5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCCN1CCN(C(=O)CC2CCN(c3ncc(C(N)=O)cc3Cl)CC2)CC1
InChIInChI=1S/C19H28ClN5O2/c1-2-23-7-9-24(10-8-23)17(26)11-14-3-5-25(6-4-14)19-16(20)12-15(13-22-19)18(21)27/h12-14H,2-11H2,1H3,(H2,21,27)
InChIKeyPPZUHLBROSWCKD-UHFFFAOYSA-N
MW393.92 g/mol
LogP1.60
Rot. Bonds5

About 5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide

5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133293875) has the molecular formula C19H28ClN5O2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133293875
Molecular FormulaC19H28ClN5O2
Molecular Weight393.92 g/mol
Exact Mass393.19
IUPAC Name5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCCN1CCN(C(=O)CC2CCN(c3ncc(C(N)=O)cc3Cl)CC2)CC1
InChIInChI=1S/C19H28ClN5O2/c1-2-23-7-9-24(10-8-23)17(26)11-14-3-5-25(6-4-14)19-16(20)12-15(13-22-19)18(21)27/h12-14H,2-11H2,1H3,(H2,21,27)
InChIKeyPPZUHLBROSWCKD-UHFFFAOYSA-N
XLogP1.60
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 133293899
5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133380757
2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172899893
5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 55049889
2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 133321141
5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133499734
1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone
CID 133293927
5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133464880
5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide
CID 133311263
ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride
CID 68842869
5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide
CID 95099262
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171994305

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide (CID 133293875) is 5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide is CCN1CCN(C(=O)CC2CCN(c3ncc(C(N)=O)cc3Cl)CC2)CC1.
What is the InChIKey of 5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is PPZUHLBROSWCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN5O2/c1-2-23-7-9-24(10-8-23)17(26)11-14-3-5-25(6-4-14)19-16(20)12-15(13-22-19)18(21)27/h12-14H,2-11H2,1H3,(H2,21,27).
What are the key properties of 5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 393.92 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133293875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).