N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide

C12H15BrN2O2 — CID 103789254

IUPACN-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1ccc(Br)nc1
InChIInChI=1S/C12H15BrN2O2/c13-11-5-3-9(8-14-11)15-12(16)6-4-10-2-1-7-17-10/h3,5,8,10H,1-2,4,6-7H2,(H,15,16)
InChIKeyHLLZYIBCEGJFAC-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.74
Rot. Bonds4

About N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide

N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide (PubChem CID 103789254) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide
PubChem CID103789254
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1ccc(Br)nc1
InChIInChI=1S/C12H15BrN2O2/c13-11-5-3-9(8-14-11)15-12(16)6-4-10-2-1-7-17-10/h3,5,8,10H,1-2,4,6-7H2,(H,15,16)
InChIKeyHLLZYIBCEGJFAC-UHFFFAOYSA-N
XLogP2.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(6-bromo-3-pyridinyl)-2-(oxan-2-yl)acetamide
CID 110614780
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
3-[(2S)-oxolan-2-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 94118334
N-(6-imidazol-1-yl-3-pyridinyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94177685
N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 114299310
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581
3-[(2S)-oxolan-2-yl]-N-pyridin-2-ylpropanamide
CID 51938440
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057653
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide
CID 55605765
2-bromo-5-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 115295879

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide (CID 103789254) is N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)Nc1ccc(Br)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is HLLZYIBCEGJFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-11-5-3-9(8-14-11)15-12(16)6-4-10-2-1-7-17-10/h3,5,8,10H,1-2,4,6-7H2,(H,15,16).
What are the key properties of N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide?
N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 299.17 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 103789254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).