N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide

C15H14BrN3O2 — CID 103754215

IUPACN-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccnc2Br)cc1C
InChIInChI=1S/C15H14BrN3O2/c1-9-8-11(5-6-13(9)18-10(2)20)19-15(21)12-4-3-7-17-14(12)16/h3-8H,1-2H3,(H,18,20)(H,19,21)
InChIKeyLDZPJOWXYXTSIM-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.36
Rot. Bonds3

About N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide

N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide (PubChem CID 103754215) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide
PubChem CID103754215
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC NameN-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccnc2Br)cc1C
InChIInChI=1S/C15H14BrN3O2/c1-9-8-11(5-6-13(9)18-10(2)20)19-15(21)12-4-3-7-17-14(12)16/h3-8H,1-2H3,(H,18,20)(H,19,21)
InChIKeyLDZPJOWXYXTSIM-UHFFFAOYSA-N
XLogP3.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 46550282
2-bromo-N-(2-methyl-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103754715
2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide
CID 103754637
2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide
CID 103931944
2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide
CID 103758995
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 103752138
2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 104870910
N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide
CID 107358538
2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 113255059
2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 113255067
2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide
CID 103753980

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide (CID 103754215) is N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cccnc2Br)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide?
The InChIKey is LDZPJOWXYXTSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-9-8-11(5-6-13(9)18-10(2)20)19-15(21)12-4-3-7-17-14(12)16/h3-8H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide?
N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide is sourced from PubChem (CID 103754215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).