N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide

C12H16BrN3O — CID 114050904

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
SMILESCc1nc(Br)ccc1NC(=O)CC1CCNC1
InChIInChI=1S/C12H16BrN3O/c1-8-10(2-3-11(13)15-8)16-12(17)6-9-4-5-14-7-9/h2-3,9,14H,4-7H2,1H3,(H,16,17)
InChIKeyIEGRAWSTTHVERO-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.09
Rot. Bonds3

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

N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide (PubChem CID 114050904) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
PubChem CID114050904
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
SMILESCc1nc(Br)ccc1NC(=O)CC1CCNC1
InChIInChI=1S/C12H16BrN3O/c1-8-10(2-3-11(13)15-8)16-12(17)6-9-4-5-14-7-9/h2-3,9,14H,4-7H2,1H3,(H,16,17)
InChIKeyIEGRAWSTTHVERO-UHFFFAOYSA-N
XLogP2.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.09
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-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115
N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide
CID 114254707
N-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 79733319
N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 113349881
N-(2-bromo-5-methylphenyl)-2-piperidin-4-ylacetamide
CID 82757301
N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide
CID 103909752
N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 58770019
N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 107600000
N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide
CID 114263080
N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide
CID 103909516
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-dimethyl-3-pyridinyl)acetamide;dihydrochloride
CID 119858239
N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide
CID 81494966

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide (CID 114050904) is N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide is Cc1nc(Br)ccc1NC(=O)CC1CCNC1.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide?
The InChIKey is IEGRAWSTTHVERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-8-10(2-3-11(13)15-8)16-12(17)6-9-4-5-14-7-9/h2-3,9,14H,4-7H2,1H3,(H,16,17).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide?
N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide has a molecular weight of 298.18 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 114050904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).