4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione

C12H14N4O3 — CID 66067103

IUPAC4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)c1ccc(N)nc1
InChIInChI=1S/C12H14N4O3/c1-12(2)11(19)15-9(17)6-16(12)10(18)7-3-4-8(13)14-5-7/h3-5H,6H2,1-2H3,(H2,13,14)(H,15,17,19)
InChIKeyHIAUEIGIHFJGSU-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.46
Rot. Bonds1

About 4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione

4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66067103) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID66067103
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)c1ccc(N)nc1
InChIInChI=1S/C12H14N4O3/c1-12(2)11(19)15-9(17)6-16(12)10(18)7-3-4-8(13)14-5-7/h3-5H,6H2,1-2H3,(H2,13,14)(H,15,17,19)
InChIKeyHIAUEIGIHFJGSU-UHFFFAOYSA-N
XLogP-0.46
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione (CID 66067103) is 4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1C(=O)c1ccc(N)nc1.
What is the InChIKey of 4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is HIAUEIGIHFJGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-12(2)11(19)15-9(17)6-16(12)10(18)7-3-4-8(13)14-5-7/h3-5H,6H2,1-2H3,(H2,13,14)(H,15,17,19).
What are the key properties of 4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 262.27 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66067103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).