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

C11H11FN4O3 — CID 105386764

IUPAC4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1ccnc(N)c1F
InChIInChI=1S/C11H11FN4O3/c1-5-10(18)15-7(17)4-16(5)11(19)6-2-3-14-9(13)8(6)12/h2-3,5H,4H2,1H3,(H2,13,14)(H,15,17,18)
InChIKeySSTOIUMEJJUNIA-UHFFFAOYSA-N
MW266.23 g/mol
LogP-0.71
Rot. Bonds1

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

4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 105386764) has the molecular formula C11H11FN4O3 and a molecular weight of 266.23 g/mol. Its IUPAC name is 4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
PubChem CID105386764
Molecular FormulaC11H11FN4O3
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Name4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1ccnc(N)c1F
InChIInChI=1S/C11H11FN4O3/c1-5-10(18)15-7(17)4-16(5)11(19)6-2-3-14-9(13)8(6)12/h2-3,5H,4H2,1H3,(H2,13,14)(H,15,17,18)
InChIKeySSTOIUMEJJUNIA-UHFFFAOYSA-N
XLogP-0.71
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 5-0.71
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

4-(2-chloro-3-nitropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 66060821
4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66063081
3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione
CID 66060995
4-(4-hydrazinylpyridine-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66076054
3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione
CID 81244952
4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061744
4-(2,5-dichlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66061958
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66061604
4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)-3-methylpiperazin-2-one
CID 105388346
4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66063821
(2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 105386742
4-(4-amino-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061873

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione (CID 105386764) is 4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)c1ccnc(N)c1F.
What is the InChIKey of 4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is SSTOIUMEJJUNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3/c1-5-10(18)15-7(17)4-16(5)11(19)6-2-3-14-9(13)8(6)12/h2-3,5H,4H2,1H3,(H2,13,14)(H,15,17,18).
What are the key properties of 4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione?
4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 266.23 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 105386764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).