2-acetamido-N-(5-bromo-2-pyridinyl)-2-cyclopentylacetamide

C14H18BrN3O2 — CID 75413864

IUPAC2-acetamido-N-(5-bromo-2-pyridinyl)-2-cyclopentylacetamide
SMILESCC(=O)NC(C(=O)Nc1ccc(Br)cn1)C1CCCC1
InChIInChI=1S/C14H18BrN3O2/c1-9(19)17-13(10-4-2-3-5-10)14(20)18-12-7-6-11(15)8-16-12/h6-8,10,13H,2-5H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyBRTAYHRISSKPCI-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.48
Rot. Bonds4

About 2-acetamido-N-(5-bromo-2-pyridinyl)-2-cyclopentylacetamide

2-acetamido-N-(5-bromo-2-pyridinyl)-2-cyclopentylacetamide (PubChem CID 75413864) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-acetamido-N-(5-bromo-2-pyridinyl)-2-cyclopentylacetamide.

Molecular Properties

Compound Name2-acetamido-N-(5-bromo-2-pyridinyl)-2-cyclopentylacetamide
PubChem CID75413864
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name2-acetamido-N-(5-bromo-2-pyridinyl)-2-cyclopentylacetamide
SMILESCC(=O)NC(C(=O)Nc1ccc(Br)cn1)C1CCCC1
InChIInChI=1S/C14H18BrN3O2/c1-9(19)17-13(10-4-2-3-5-10)14(20)18-12-7-6-11(15)8-16-12/h6-8,10,13H,2-5H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyBRTAYHRISSKPCI-UHFFFAOYSA-N
XLogP2.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(5-bromo-2-pyridinyl)-2-cyclopentylacetamide?
The IUPAC name of 2-acetamido-N-(5-bromo-2-pyridinyl)-2-cyclopentylacetamide (CID 75413864) is 2-acetamido-N-(5-bromo-2-pyridinyl)-2-cyclopentylacetamide.
What is the SMILES notation for 2-acetamido-N-(5-bromo-2-pyridinyl)-2-cyclopentylacetamide?
The canonical SMILES for 2-acetamido-N-(5-bromo-2-pyridinyl)-2-cyclopentylacetamide is CC(=O)NC(C(=O)Nc1ccc(Br)cn1)C1CCCC1.
What is the InChIKey of 2-acetamido-N-(5-bromo-2-pyridinyl)-2-cyclopentylacetamide?
The InChIKey is BRTAYHRISSKPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-9(19)17-13(10-4-2-3-5-10)14(20)18-12-7-6-11(15)8-16-12/h6-8,10,13H,2-5H2,1H3,(H,17,19)(H,16,18,20).
What are the key properties of 2-acetamido-N-(5-bromo-2-pyridinyl)-2-cyclopentylacetamide?
2-acetamido-N-(5-bromo-2-pyridinyl)-2-cyclopentylacetamide has a molecular weight of 340.22 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(5-bromo-2-pyridinyl)-2-cyclopentylacetamide is sourced from PubChem (CID 75413864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).