2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpropanamide

C10H14BrN3O — CID 77144543

IUPAC2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpropanamide
SMILESCC(N)C(=O)N(C)Cc1ccnc(Br)c1
InChIInChI=1S/C10H14BrN3O/c1-7(12)10(15)14(2)6-8-3-4-13-9(11)5-8/h3-5,7H,6,12H2,1-2H3
InChIKeyOZQUEGKHYQMYNW-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.15
Rot. Bonds3

About 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpropanamide

2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpropanamide (PubChem CID 77144543) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpropanamide
PubChem CID77144543
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpropanamide
SMILESCC(N)C(=O)N(C)Cc1ccnc(Br)c1
InChIInChI=1S/C10H14BrN3O/c1-7(12)10(15)14(2)6-8-3-4-13-9(11)5-8/h3-5,7H,6,12H2,1-2H3
InChIKeyOZQUEGKHYQMYNW-UHFFFAOYSA-N
XLogP1.15
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpropanamide (CID 77144543) is 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpropanamide is CC(N)C(=O)N(C)Cc1ccnc(Br)c1.
What is the InChIKey of 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpropanamide?
The InChIKey is OZQUEGKHYQMYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-7(12)10(15)14(2)6-8-3-4-13-9(11)5-8/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpropanamide?
2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpropanamide has a molecular weight of 272.15 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 77144543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).