N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide

C11H13BrClN3O — CID 114050445

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1cnc(Cl)c(Br)c1
InChIInChI=1S/C11H13BrClN3O/c1-6-8(2-3-14-6)11(17)16-7-4-9(12)10(13)15-5-7/h4-6,8,14H,2-3H2,1H3,(H,16,17)
InChIKeyQNPAGGXHIAXLGB-UHFFFAOYSA-N
MW318.60 g/mol
LogP2.43
Rot. Bonds2

About N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide

N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 114050445) has the molecular formula C11H13BrClN3O and a molecular weight of 318.60 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
PubChem CID114050445
Molecular FormulaC11H13BrClN3O
Molecular Weight318.60 g/mol
Exact Mass316.99
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1cnc(Cl)c(Br)c1
InChIInChI=1S/C11H13BrClN3O/c1-6-8(2-3-14-6)11(17)16-7-4-9(12)10(13)15-5-7/h4-6,8,14H,2-3H2,1H3,(H,16,17)
InChIKeyQNPAGGXHIAXLGB-UHFFFAOYSA-N
XLogP2.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide
CID 103816457
N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382988
N-(4-bromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382667
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751
N-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide
CID 79388822
2-methyl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 79383379
N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
CID 79388659
N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 107599756
N-(5-bromo-6-chloro-3-pyridinyl)thiane-2-carboxamide
CID 104624709
2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378598
N-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 114050443

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide (CID 114050445) is N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)Nc1cnc(Cl)c(Br)c1.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is QNPAGGXHIAXLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3O/c1-6-8(2-3-14-6)11(17)16-7-4-9(12)10(13)15-5-7/h4-6,8,14H,2-3H2,1H3,(H,16,17).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide?
N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 318.60 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114050445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).