N-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide

C11H13BrClN3O — CID 114050443

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)Nc1cnc(Cl)c(Br)c1
InChIInChI=1S/C11H13BrClN3O/c12-9-4-8(6-15-11(9)13)16-10(17)3-7-1-2-14-5-7/h4,6-7,14H,1-3,5H2,(H,16,17)
InChIKeyJBUGICOKIPQLHM-UHFFFAOYSA-N
MW318.60 g/mol
LogP2.44
Rot. Bonds3

About N-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide

N-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide (PubChem CID 114050443) 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-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
PubChem CID114050443
Molecular FormulaC11H13BrClN3O
Molecular Weight318.60 g/mol
Exact Mass316.99
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)Nc1cnc(Cl)c(Br)c1
InChIInChI=1S/C11H13BrClN3O/c12-9-4-8(6-15-11(9)13)16-10(17)3-7-1-2-14-5-7/h4,6-7,14H,1-3,5H2,(H,16,17)
InChIKeyJBUGICOKIPQLHM-UHFFFAOYSA-N
XLogP2.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 52.44
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-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 113452141
N-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 79733319
N-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide
CID 104624706
N-(6-fluoro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 104954698
N-pyrimidin-5-yl-2-pyrrolidin-3-ylacetamide
CID 107588558
N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 130748030
N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 130748029
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyclohexylacetamide
CID 103730501
N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 58770019
N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119670897
N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide
CID 115160286
N-(2-phenylpyrimidin-5-yl)-2-piperidin-4-ylacetamide
CID 119697450

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide (CID 114050443) is N-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide is O=C(CC1CCNC1)Nc1cnc(Cl)c(Br)c1.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide?
The InChIKey is JBUGICOKIPQLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3O/c12-9-4-8(6-15-11(9)13)16-10(17)3-7-1-2-14-5-7/h4,6-7,14H,1-3,5H2,(H,16,17).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide?
N-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide has a molecular weight of 318.60 g/mol, XLogP of 2.44, 3 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-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 114050443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).