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

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