N-(3-acetylphenyl)-4-bromo-5-methylpyridine-2-carboxamide

C15H13BrN2O2 — CID 90305974

IUPACN-(3-acetylphenyl)-4-bromo-5-methylpyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(Br)c(C)cn2)c1
InChIInChI=1S/C15H13BrN2O2/c1-9-8-17-14(7-13(9)16)15(20)18-12-5-3-4-11(6-12)10(2)19/h3-8H,1-2H3,(H,18,20)
InChIKeyIVSRQLGRMKBSMW-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.61
Rot. Bonds3

About N-(3-acetylphenyl)-4-bromo-5-methylpyridine-2-carboxamide

N-(3-acetylphenyl)-4-bromo-5-methylpyridine-2-carboxamide (PubChem CID 90305974) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-bromo-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-bromo-5-methylpyridine-2-carboxamide
PubChem CID90305974
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC NameN-(3-acetylphenyl)-4-bromo-5-methylpyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(Br)c(C)cn2)c1
InChIInChI=1S/C15H13BrN2O2/c1-9-8-17-14(7-13(9)16)15(20)18-12-5-3-4-11(6-12)10(2)19/h3-8H,1-2H3,(H,18,20)
InChIKeyIVSRQLGRMKBSMW-UHFFFAOYSA-N
XLogP3.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-acetylphenyl)-4-bromo-5-methylpyridine-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

N-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide
CID 109197257
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332
N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290158
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271495
5-(3-acetylanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109198731
N-(3-acetylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224356
methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
N-(3-acetylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109200351
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195666

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-bromo-5-methylpyridine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-bromo-5-methylpyridine-2-carboxamide (CID 90305974) is N-(3-acetylphenyl)-4-bromo-5-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-bromo-5-methylpyridine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-bromo-5-methylpyridine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(Br)c(C)cn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-bromo-5-methylpyridine-2-carboxamide?
The InChIKey is IVSRQLGRMKBSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-9-8-17-14(7-13(9)16)15(20)18-12-5-3-4-11(6-12)10(2)19/h3-8H,1-2H3,(H,18,20).
What are the key properties of N-(3-acetylphenyl)-4-bromo-5-methylpyridine-2-carboxamide?
N-(3-acetylphenyl)-4-bromo-5-methylpyridine-2-carboxamide has a molecular weight of 333.19 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-bromo-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 90305974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).