N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide

C13H15BrN2O — CID 71849772

IUPACN-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
SMILESCc1ccnc(Br)c1NC(=O)CC1C=CCC1
InChIInChI=1S/C13H15BrN2O/c1-9-6-7-15-13(14)12(9)16-11(17)8-10-4-2-3-5-10/h2,4,6-7,10H,3,5,8H2,1H3,(H,16,17)
InChIKeyVLTIASFXIDHICC-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.45
Rot. Bonds3

About N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide

N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide (PubChem CID 71849772) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
PubChem CID71849772
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC NameN-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
SMILESCc1ccnc(Br)c1NC(=O)CC1C=CCC1
InChIInChI=1S/C13H15BrN2O/c1-9-6-7-15-13(14)12(9)16-11(17)8-10-4-2-3-5-10/h2,4,6-7,10H,3,5,8H2,1H3,(H,16,17)
InChIKeyVLTIASFXIDHICC-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide (CID 71849772) is N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide is Cc1ccnc(Br)c1NC(=O)CC1C=CCC1.
What is the InChIKey of N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is VLTIASFXIDHICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9-6-7-15-13(14)12(9)16-11(17)8-10-4-2-3-5-10/h2,4,6-7,10H,3,5,8H2,1H3,(H,16,17).
What are the key properties of N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide?
N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 295.18 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 71849772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).