N-(6-bromo-2-pyridinyl)-2-methylpentanamide

C11H15BrN2O — CID 43520555

IUPACN-(6-bromo-2-pyridinyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cccc(Br)n1
InChIInChI=1S/C11H15BrN2O/c1-3-5-8(2)11(15)14-10-7-4-6-9(12)13-10/h4,6-8H,3,5H2,1-2H3,(H,13,14,15)
InChIKeyHHQMPTNTLPLSNE-UHFFFAOYSA-N
MW271.16 g/mol
LogP3.22
Rot. Bonds4

About N-(6-bromo-2-pyridinyl)-2-methylpentanamide

N-(6-bromo-2-pyridinyl)-2-methylpentanamide (PubChem CID 43520555) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-2-methylpentanamide
PubChem CID43520555
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-(6-bromo-2-pyridinyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cccc(Br)n1
InChIInChI=1S/C11H15BrN2O/c1-3-5-8(2)11(15)14-10-7-4-6-9(12)13-10/h4,6-8H,3,5H2,1-2H3,(H,13,14,15)
InChIKeyHHQMPTNTLPLSNE-UHFFFAOYSA-N
XLogP3.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-2-methylpentanamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-2-methylpentanamide (CID 43520555) is N-(6-bromo-2-pyridinyl)-2-methylpentanamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-2-methylpentanamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1cccc(Br)n1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-2-methylpentanamide?
The InChIKey is HHQMPTNTLPLSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-5-8(2)11(15)14-10-7-4-6-9(12)13-10/h4,6-8H,3,5H2,1-2H3,(H,13,14,15).
What are the key properties of N-(6-bromo-2-pyridinyl)-2-methylpentanamide?
N-(6-bromo-2-pyridinyl)-2-methylpentanamide has a molecular weight of 271.16 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-2-methylpentanamide is sourced from PubChem (CID 43520555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).