4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione

C10H10ClN3O2 — CID 66233228

IUPAC4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1c1ccc(Cl)cn1
InChIInChI=1S/C10H10ClN3O2/c1-6-10(16)13-9(15)5-14(6)8-3-2-7(11)4-12-8/h2-4,6H,5H2,1H3,(H,13,15,16)
InChIKeyXHEXRQCUSUTLNT-UHFFFAOYSA-N
MW239.66 g/mol
LogP0.59
Rot. Bonds1

About 4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione

4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione (PubChem CID 66233228) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione
PubChem CID66233228
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1c1ccc(Cl)cn1
InChIInChI=1S/C10H10ClN3O2/c1-6-10(16)13-9(15)5-14(6)8-3-2-7(11)4-12-8/h2-4,6H,5H2,1H3,(H,13,15,16)
InChIKeyXHEXRQCUSUTLNT-UHFFFAOYSA-N
XLogP0.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione
CID 79827948
4-(2-chloro-4-pyridinyl)-3-methylpiperazine-2,6-dione
CID 102824283
4-(2-amino-5-chloropyrimidin-4-yl)-3-methylpiperazine-2,6-dione
CID 80850976
2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile
CID 66075430
4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 80851303
4-(6-chloro-5-methylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione
CID 66075460
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 106768014
6-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxylic acid
CID 66075438
4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione
CID 66061314
4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]-3-methylpiperazine-2,6-dione
CID 83126993
4-(6-acetyl-3-pyridinyl)-3-methylpiperazine-2,6-dione
CID 83119029
4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 80850978

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione (CID 66233228) is 4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1c1ccc(Cl)cn1.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione?
The InChIKey is XHEXRQCUSUTLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-6-10(16)13-9(15)5-14(6)8-3-2-7(11)4-12-8/h2-4,6H,5H2,1H3,(H,13,15,16).
What are the key properties of 4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione?
4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione has a molecular weight of 239.66 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66233228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).