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

C13H11BrN2O — CID 2301666

IUPACN-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccn2)c(Br)c1
InChIInChI=1S/C13H11BrN2O/c1-9-5-6-11(10(14)8-9)16-13(17)12-4-2-3-7-15-12/h2-8H,1H3,(H,16,17)
InChIKeyMOQSQIIRERDFDG-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.40
Rot. Bonds2

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

N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide (PubChem CID 2301666) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
PubChem CID2301666
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC NameN-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccn2)c(Br)c1
InChIInChI=1S/C13H11BrN2O/c1-9-5-6-11(10(14)8-9)16-13(17)12-4-2-3-7-15-12/h2-8H,1H3,(H,16,17)
InChIKeyMOQSQIIRERDFDG-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 N-(2-bromo-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

Bromazepam
CID 2441
N-(3-(trifluoromethyl)phenyl)pyridine-2-carboxamide
CID 2306530
N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 771963
3-bromo-N'-[(1E)-1-(pyridin-3-yl)ethylidene]benzohydrazide
CID 5341533
4-bromo-N-(pyridin-3-yl)benzamide
CID 603115
4-amino-N-(pyridin-3-yl)benzamide
CID 215946
2-(2-Amino-5-bromobenzoyl)pyridine
CID 73807
6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide
CID 6095594
N-(4-fluoro-3-(trifluoromethyl)phenyl)picolinamide
CID 44191180
4-Bromo-N-4-pyridinylbenzamide
CID 767341
N-[1-(aminocarbonyl)-2-(3-pyridinyl)vinyl]benzamide
CID 768793
1-(3-Bromo-benzoyl)-3-pyridin-3-yl-thiourea
CID 802125

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide (CID 2301666) is N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccccn2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is MOQSQIIRERDFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-9-5-6-11(10(14)8-9)16-13(17)12-4-2-3-7-15-12/h2-8H,1H3,(H,16,17).
What are the key properties of N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide?
N-(2-bromo-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 N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 2301666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).