4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione

C12H14N4O3 — CID 107339092

IUPAC4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C12H14N4O3/c1-7-12(19)15-10(17)6-16(7)11(18)4-9-3-2-8(13)5-14-9/h2-3,5,7H,4,6,13H2,1H3,(H,15,17,19)
InChIKeyWMLVHZIFILIVGN-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.92
Rot. Bonds2

About 4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione

4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione (PubChem CID 107339092) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione
PubChem CID107339092
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C12H14N4O3/c1-7-12(19)15-10(17)6-16(7)11(18)4-9-3-2-8(13)5-14-9/h2-3,5,7H,4,6,13H2,1H3,(H,15,17,19)
InChIKeyWMLVHZIFILIVGN-UHFFFAOYSA-N
XLogP-0.92
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride
CID 120632859
2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 107337486
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one
CID 107337480
4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione
CID 66062499
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866
4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062066
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 107339302
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(5-amino-2-pyridinyl)ethanone
CID 107339471
3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazine-2,6-dione
CID 66063520
4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione
CID 66061914
4-[2-(4-methoxyphenoxy)acetyl]-3-methylpiperazine-2,6-dione
CID 66060981

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione (CID 107339092) is 4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)Cc1ccc(N)cn1.
What is the InChIKey of 4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione?
The InChIKey is WMLVHZIFILIVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-12(19)15-10(17)6-16(7)11(18)4-9-3-2-8(13)5-14-9/h2-3,5,7H,4,6,13H2,1H3,(H,15,17,19).
What are the key properties of 4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione?
4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione has a molecular weight of 262.27 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 107339092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).