N-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide

C10H10BrClN2O — CID 130834673

IUPACN-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1cc(Cl)c(Br)cn1
InChIInChI=1S/C10H10BrClN2O/c1-6(2)3-10(15)14-9-4-8(12)7(11)5-13-9/h3-5H,1-2H3,(H,13,14,15)
InChIKeyVSGREWUEIBUDSW-UHFFFAOYSA-N
MW289.56 g/mol
LogP3.40
Rot. Bonds2

About N-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide

N-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide (PubChem CID 130834673) has the molecular formula C10H10BrClN2O and a molecular weight of 289.56 g/mol. Its IUPAC name is N-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide
PubChem CID130834673
Molecular FormulaC10H10BrClN2O
Molecular Weight289.56 g/mol
Exact Mass287.97
IUPAC NameN-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1cc(Cl)c(Br)cn1
InChIInChI=1S/C10H10BrClN2O/c1-6(2)3-10(15)14-9-4-8(12)7(11)5-13-9/h3-5H,1-2H3,(H,13,14,15)
InChIKeyVSGREWUEIBUDSW-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide?
The IUPAC name of N-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide (CID 130834673) is N-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide is CC(C)=CC(=O)Nc1cc(Cl)c(Br)cn1.
What is the InChIKey of N-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide?
The InChIKey is VSGREWUEIBUDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O/c1-6(2)3-10(15)14-9-4-8(12)7(11)5-13-9/h3-5H,1-2H3,(H,13,14,15).
What are the key properties of N-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide?
N-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide has a molecular weight of 289.56 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide is sourced from PubChem (CID 130834673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).