4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione

C11H11ClN4O3 — CID 66074118

IUPAC4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C11H11ClN4O3/c1-5-10(18)15-9(17)4-16(5)11(19)6-2-7(12)14-8(13)3-6/h2-3,5H,4H2,1H3,(H2,13,14)(H,15,17,18)
InChIKeyCXJHUNKXTOKIKL-UHFFFAOYSA-N
MW282.69 g/mol
LogP-0.20
Rot. Bonds1

About 4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione

4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 66074118) has the molecular formula C11H11ClN4O3 and a molecular weight of 282.69 g/mol. Its IUPAC name is 4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
PubChem CID66074118
Molecular FormulaC11H11ClN4O3
Molecular Weight282.69 g/mol
Exact Mass282.05
IUPAC Name4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C11H11ClN4O3/c1-5-10(18)15-9(17)4-16(5)11(19)6-2-7(12)14-8(13)3-6/h2-3,5H,4H2,1H3,(H2,13,14)(H,15,17,18)
InChIKeyCXJHUNKXTOKIKL-UHFFFAOYSA-N
XLogP-0.20
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-amino-4-chlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66062454
4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66068737
4-(4-amino-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061873
3-methyl-4-(pyrimidine-5-carbonyl)piperazine-2,6-dione
CID 102922193
3-(2-methyl-3,5-dioxopiperazine-1-carbonyl)benzenecarbothioamide
CID 66075045
4-[4-(aminomethyl)benzoyl]-3-methylpiperazine-2,6-dione
CID 66063044
4-(2,5-dichlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66061958
3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712524
4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 82813907
4-(2,6-dichlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66062103
4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061337
4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062263

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione (CID 66074118) is 4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is CXJHUNKXTOKIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3/c1-5-10(18)15-9(17)4-16(5)11(19)6-2-7(12)14-8(13)3-6/h2-3,5H,4H2,1H3,(H2,13,14)(H,15,17,18).
What are the key properties of 4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione?
4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 282.69 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66074118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).