4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide

C13H11BrN2O — CID 132587528

IUPAC4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Br)ccn2)cc1
InChIInChI=1S/C13H11BrN2O/c1-9-2-4-11(5-3-9)16-13(17)12-8-10(14)6-7-15-12/h2-8H,1H3,(H,16,17)
InChIKeyIDYPABXHHUIHEX-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.40
Rot. Bonds2

About 4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide

4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide (PubChem CID 132587528) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide
PubChem CID132587528
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Br)ccn2)cc1
InChIInChI=1S/C13H11BrN2O/c1-9-2-4-11(5-3-9)16-13(17)12-8-10(14)6-7-15-12/h2-8H,1H3,(H,16,17)
InChIKeyIDYPABXHHUIHEX-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-(4-methylphenyl)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

4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 86695853
4-(methylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62166966
4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219210
4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109216961
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
4-N-(4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091349
2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078101
N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide
CID 110858652
2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091288
N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219281
dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
CID 11455628
2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314095

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide (CID 132587528) is 4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(Br)ccn2)cc1.
What is the InChIKey of 4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is IDYPABXHHUIHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-9-2-4-11(5-3-9)16-13(17)12-8-10(14)6-7-15-12/h2-8H,1H3,(H,16,17).
What are the key properties of 4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide?
4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide has a molecular weight of 291.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 132587528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).