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

C13H18Cl2N4O — CID 102758288

IUPAC4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one
SMILESCCNc1nc(N2CCNC(=O)C2CC)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4O/c1-3-10-13(20)17-5-6-19(10)12-9(15)7-8(14)11(18-12)16-4-2/h7,10H,3-6H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyPSFCQJYSUPJZQE-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.54
Rot. Bonds4

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

4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one (PubChem CID 102758288) has the molecular formula C13H18Cl2N4O and a molecular weight of 317.22 g/mol. Its IUPAC name is 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one
PubChem CID102758288
Molecular FormulaC13H18Cl2N4O
Molecular Weight317.22 g/mol
Exact Mass316.09
IUPAC Name4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one
SMILESCCNc1nc(N2CCNC(=O)C2CC)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4O/c1-3-10-13(20)17-5-6-19(10)12-9(15)7-8(14)11(18-12)16-4-2/h7,10H,3-6H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyPSFCQJYSUPJZQE-UHFFFAOYSA-N
XLogP2.54
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one
CID 102755342
4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione
CID 102762240
3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one
CID 80833586
3-ethyl-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-2-one
CID 80834717
4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one
CID 80833939
4-(3-bromo-5-chloro-2-pyridinyl)-3-ethylpiperazin-2-one
CID 114837103
4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one
CID 167888729
3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
CID 80959273
4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one
CID 55215775
4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one
CID 63603736
2-(2-ethyl-3-oxopiperazin-1-yl)quinoline-3-carbaldehyde
CID 63601144
1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide
CID 102757200

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one (CID 102758288) is 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one is CCNc1nc(N2CCNC(=O)C2CC)c(Cl)cc1Cl.
What is the InChIKey of 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one?
The InChIKey is PSFCQJYSUPJZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4O/c1-3-10-13(20)17-5-6-19(10)12-9(15)7-8(14)11(18-12)16-4-2/h7,10H,3-6H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of 4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one?
4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one has a molecular weight of 317.22 g/mol, XLogP of 2.54, 4 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]-3-ethylpiperazin-2-one is sourced from PubChem (CID 102758288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).