4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione

C12H11Cl2N3O3 — CID 66068737

IUPAC4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H11Cl2N3O3/c1-2-7-11(19)16-10(18)5-17(7)12(20)6-3-8(13)15-9(14)4-6/h3-4,7H,2,5H2,1H3,(H,16,18,19)
InChIKeyDORIEWBFEDKXAV-UHFFFAOYSA-N
MW316.14 g/mol
LogP1.27
Rot. Bonds2

About 4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione

4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione (PubChem CID 66068737) has the molecular formula C12H11Cl2N3O3 and a molecular weight of 316.14 g/mol. Its IUPAC name is 4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione
PubChem CID66068737
Molecular FormulaC12H11Cl2N3O3
Molecular Weight316.14 g/mol
Exact Mass315.02
IUPAC Name4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H11Cl2N3O3/c1-2-7-11(19)16-10(18)5-17(7)12(20)6-3-8(13)15-9(14)4-6/h3-4,7H,2,5H2,1H3,(H,16,18,19)
InChIKeyDORIEWBFEDKXAV-UHFFFAOYSA-N
XLogP1.27
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 82813907
4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one
CID 113378431
4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069654
4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 66074118
3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
CID 66069280
3-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)benzonitrile
CID 66067733
4-(3,5-dichloro-2-iodobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66067941
4-(2-bromo-4-chlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 107988303
4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one
CID 63603736
4-(2-chloroacetyl)-3-ethylpiperazine-2,6-dione
CID 66068113
4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66067221
4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66069532

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione (CID 66068737) is 4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is DORIEWBFEDKXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O3/c1-2-7-11(19)16-10(18)5-17(7)12(20)6-3-8(13)15-9(14)4-6/h3-4,7H,2,5H2,1H3,(H,16,18,19).
What are the key properties of 4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione?
4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 316.14 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66068737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).