N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C11H12BrN3O2 — CID 81489355

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)C1CNC(=O)C1
InChIInChI=1S/C11H12BrN3O2/c1-6-2-8(12)5-14-10(6)15-11(17)7-3-9(16)13-4-7/h2,5,7H,3-4H2,1H3,(H,13,16)(H,14,15,17)
InChIKeyFCAFYXQGVFEPFC-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.23
Rot. Bonds2

About N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 81489355) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID81489355
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)C1CNC(=O)C1
InChIInChI=1S/C11H12BrN3O2/c1-6-2-8(12)5-14-10(6)15-11(17)7-3-9(16)13-4-7/h2,5,7H,3-4H2,1H3,(H,13,16)(H,14,15,17)
InChIKeyFCAFYXQGVFEPFC-UHFFFAOYSA-N
XLogP1.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 79840955
N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide
CID 114825721
N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
CID 114098798
N-(5-bromo-3-methyl-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 75430216
N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 104938731
2-(azetidin-3-yl)-N-(5-bromo-3-methyl-2-pyridinyl)acetamide
CID 83170220
N-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide
CID 107068531
5-[(5-bromo-3-methyl-2-pyridinyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427452
3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid
CID 83191694
N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983438
N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 115338810
N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 75430218

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 81489355) is N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(Br)cnc1NC(=O)C1CNC(=O)C1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FCAFYXQGVFEPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-6-2-8(12)5-14-10(6)15-11(17)7-3-9(16)13-4-7/h2,5,7H,3-4H2,1H3,(H,13,16)(H,14,15,17).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 298.14 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 81489355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).