6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide

C11H10FN3O3 — CID 115497964

IUPAC6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide
SMILESCN1C(=O)CC(NC(=O)c2cccc(F)n2)C1=O
InChIInChI=1S/C11H10FN3O3/c1-15-9(16)5-7(11(15)18)14-10(17)6-3-2-4-8(12)13-6/h2-4,7H,5H2,1H3,(H,14,17)
InChIKeyCGJQYJGGNSXFOC-UHFFFAOYSA-N
MW251.22 g/mol
LogP-0.29
Rot. Bonds2

About 6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide

6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide (PubChem CID 115497964) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide
PubChem CID115497964
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide
SMILESCN1C(=O)CC(NC(=O)c2cccc(F)n2)C1=O
InChIInChI=1S/C11H10FN3O3/c1-15-9(16)5-7(11(15)18)14-10(17)6-3-2-4-8(12)13-6/h2-4,7H,5H2,1H3,(H,14,17)
InChIKeyCGJQYJGGNSXFOC-UHFFFAOYSA-N
XLogP-0.29
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 154865863
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoropyridine-2-carboxamide
CID 113442142
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 114039160
6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 115497317
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697239
N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide
CID 115498008
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136745702
6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
CID 82726069
6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide
CID 115497960
6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 115497114
N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 948119
2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79330927

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide (CID 115497964) is 6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide is CN1C(=O)CC(NC(=O)c2cccc(F)n2)C1=O.
What is the InChIKey of 6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide?
The InChIKey is CGJQYJGGNSXFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-15-9(16)5-7(11(15)18)14-10(17)6-3-2-4-8(12)13-6/h2-4,7H,5H2,1H3,(H,14,17).
What are the key properties of 6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide?
6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide has a molecular weight of 251.22 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 115497964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).