6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide

C12H12BrN3O2 — CID 103875136

IUPAC6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cccc(Br)n2)no1
InChIInChI=1S/C12H12BrN3O2/c1-8-6-9(15-18-8)7-16(2)12(17)10-4-3-5-11(13)14-10/h3-6H,7H2,1-2H3
InChIKeyHQHARSCMHFJXFG-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.41
Rot. Bonds3

About 6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide

6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 103875136) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
PubChem CID103875136
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cccc(Br)n2)no1
InChIInChI=1S/C12H12BrN3O2/c1-8-6-9(15-18-8)7-16(2)12(17)10-4-3-5-11(13)14-10/h3-6H,7H2,1-2H3
InChIKeyHQHARSCMHFJXFG-UHFFFAOYSA-N
XLogP2.41
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide 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

6-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 103875027
4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 113338807
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 60753578
3-amino-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 43587238
4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 38880738
2,3-dimethoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 38872569
2-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 110714525
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588860
2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid
CID 115923697
2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
CID 61292900
5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 38881006
N,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-indole-2-carboxamide
CID 38303841

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide (CID 103875136) is 6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide is Cc1cc(CN(C)C(=O)c2cccc(Br)n2)no1.
What is the InChIKey of 6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is HQHARSCMHFJXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-8-6-9(15-18-8)7-16(2)12(17)10-4-3-5-11(13)14-10/h3-6H,7H2,1-2H3.
What are the key properties of 6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide?
6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 310.15 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 103875136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).