N-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C11H12BrN3O2 — CID 79840955

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CNC(=O)C2)ncc1Br
InChIInChI=1S/C11H12BrN3O2/c1-6-2-9(13-5-8(6)12)15-11(17)7-3-10(16)14-4-7/h2,5,7H,3-4H2,1H3,(H,14,16)(H,13,15,17)
InChIKeyQYXBYRYBZQEWHY-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.23
Rot. Bonds2

About N-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

N-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 79840955) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID79840955
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CNC(=O)C2)ncc1Br
InChIInChI=1S/C11H12BrN3O2/c1-6-2-9(13-5-8(6)12)15-11(17)7-3-10(16)14-4-7/h2,5,7H,3-4H2,1H3,(H,14,16)(H,13,15,17)
InChIKeyQYXBYRYBZQEWHY-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)azetidine-3-carboxamide
CID 79734229
N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 81489355
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983438
2-(azetidin-3-yl)-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734717
N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 104938731
N-(5-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79735984
N-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 79733319
N-(5-bromo-4-methyl-2-pyridinyl)-1,1-dioxothiane-2-carboxamide
CID 113422106
N-[4-methyl-5-(methylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 167023085
N-(5-bromo-4-methyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 79733920
1-amino-N-(5-bromo-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 79734115

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 79840955) is N-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2CNC(=O)C2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QYXBYRYBZQEWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-6-2-9(13-5-8(6)12)15-11(17)7-3-10(16)14-4-7/h2,5,7H,3-4H2,1H3,(H,14,16)(H,13,15,17).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
N-(5-bromo-4-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-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 79840955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).