N-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide

C12H16BrN3O — CID 79733319

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide
SMILESCc1cc(NC(=O)CC2CCNC2)ncc1Br
InChIInChI=1S/C12H16BrN3O/c1-8-4-11(15-7-10(8)13)16-12(17)5-9-2-3-14-6-9/h4,7,9,14H,2-3,5-6H2,1H3,(H,15,16,17)
InChIKeyLJFRDKIXDGDSKQ-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.09
Rot. Bonds3

About N-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide (PubChem CID 79733319) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide
PubChem CID79733319
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide
SMILESCc1cc(NC(=O)CC2CCNC2)ncc1Br
InChIInChI=1S/C12H16BrN3O/c1-8-4-11(15-7-10(8)13)16-12(17)5-9-2-3-14-6-9/h4,7,9,14H,2-3,5-6H2,1H3,(H,15,16,17)
InChIKeyLJFRDKIXDGDSKQ-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

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Related Compounds

2-(azetidin-3-yl)-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734717
N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627796
N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide
CID 79734229
N-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 114050443
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 113452141
N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79730214
N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 114050904
2-(azetidin-3-yl)-N-(5-bromo-3-methyl-2-pyridinyl)acetamide
CID 83170220
N-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 79840955
N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
CID 79734509
N-pyrimidin-5-yl-2-pyrrolidin-3-ylacetamide
CID 107588558

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide (CID 79733319) is N-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide is Cc1cc(NC(=O)CC2CCNC2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide?
The InChIKey is LJFRDKIXDGDSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-8-4-11(15-7-10(8)13)16-12(17)5-9-2-3-14-6-9/h4,7,9,14H,2-3,5-6H2,1H3,(H,15,16,17).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide?
N-(5-bromo-4-methyl-2-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-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 79733319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).