2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide

C10H14BrN3O — CID 112582236

IUPAC2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1cccc(Br)n1
InChIInChI=1S/C10H14BrN3O/c1-7(10(15)12-2)13-6-8-4-3-5-9(11)14-8/h3-5,7,13H,6H2,1-2H3,(H,12,15)
InChIKeyPDPXKVJBLDYIRK-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.07
Rot. Bonds4

About 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide

2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide (PubChem CID 112582236) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide
PubChem CID112582236
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1cccc(Br)n1
InChIInChI=1S/C10H14BrN3O/c1-7(10(15)12-2)13-6-8-4-3-5-9(11)14-8/h3-5,7,13H,6H2,1-2H3,(H,12,15)
InChIKeyPDPXKVJBLDYIRK-UHFFFAOYSA-N
XLogP1.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide 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 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide?
The IUPAC name of 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide (CID 112582236) is 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1cccc(Br)n1.
What is the InChIKey of 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide?
The InChIKey is PDPXKVJBLDYIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-7(10(15)12-2)13-6-8-4-3-5-9(11)14-8/h3-5,7,13H,6H2,1-2H3,(H,12,15).
What are the key properties of 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide?
2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide has a molecular weight of 272.15 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 112582236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).