4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one

C11H14Cl2N4O — CID 102755342

IUPAC4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one
SMILESCCNc1nc(N2CCNC(=O)C2)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N4O/c1-2-14-10-7(12)5-8(13)11(16-10)17-4-3-15-9(18)6-17/h5H,2-4,6H2,1H3,(H,14,16)(H,15,18)
InChIKeyWPBTYNVTLBINBX-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.76
Rot. Bonds3

About 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one

4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one (PubChem CID 102755342) has the molecular formula C11H14Cl2N4O and a molecular weight of 289.17 g/mol. Its IUPAC name is 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one
PubChem CID102755342
Molecular FormulaC11H14Cl2N4O
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one
SMILESCCNc1nc(N2CCNC(=O)C2)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N4O/c1-2-14-10-7(12)5-8(13)11(16-10)17-4-3-15-9(18)6-17/h5H,2-4,6H2,1H3,(H,14,16)(H,15,18)
InChIKeyWPBTYNVTLBINBX-UHFFFAOYSA-N
XLogP1.76
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3,5-dichloro-6-(methylamino)-2-pyridinyl]piperazin-2-one
CID 102755341
4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-2-one
CID 102762375
4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione
CID 102758853
4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one
CID 102758288
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one
CID 80763940
3,5-dichloro-N-ethyl-6-morpholin-4-ylpyridin-2-amine
CID 102755300
3,5-dichloro-N-ethyl-6-(4-methoxypiperidin-1-yl)pyridin-2-amine
CID 102755942
4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one
CID 102758611
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
CID 80763945
5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile
CID 122160364
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102759337
3,5-dichloro-6-(4-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine
CID 102756468

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one?
The IUPAC name of 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one (CID 102755342) is 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one is CCNc1nc(N2CCNC(=O)C2)c(Cl)cc1Cl.
What is the InChIKey of 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one?
The InChIKey is WPBTYNVTLBINBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4O/c1-2-14-10-7(12)5-8(13)11(16-10)17-4-3-15-9(18)6-17/h5H,2-4,6H2,1H3,(H,14,16)(H,15,18).
What are the key properties of 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one?
4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one has a molecular weight of 289.17 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one is sourced from PubChem (CID 102755342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).