2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide

C16H17BrN2O — CID 103753955

IUPAC2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccnc(Br)c2)c(C)c1
InChIInChI=1S/C16H17BrN2O/c1-11-4-5-14(12(2)8-11)10-19(3)16(20)13-6-7-18-15(17)9-13/h4-9H,10H2,1-3H3
InChIKeyJKIQPRJWKDYXTA-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.73
Rot. Bonds3

About 2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide

2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 103753955) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID103753955
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccnc(Br)c2)c(C)c1
InChIInChI=1S/C16H17BrN2O/c1-11-4-5-14(12(2)8-11)10-19(3)16(20)13-6-7-18-15(17)9-13/h4-9H,10H2,1-3H3
InChIKeyJKIQPRJWKDYXTA-UHFFFAOYSA-N
XLogP3.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-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

2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-4-carboxamide
CID 103752068
2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753880
N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 18117054
3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide
CID 103221365
2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide
CID 166404983
2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide
CID 104952950
2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 107951738
2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 103885127
5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 18209420
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625597
3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 9228041
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide (CID 103753955) is 2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide is Cc1ccc(CN(C)C(=O)c2ccnc(Br)c2)c(C)c1.
What is the InChIKey of 2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is JKIQPRJWKDYXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-4-5-14(12(2)8-11)10-19(3)16(20)13-6-7-18-15(17)9-13/h4-9H,10H2,1-3H3.
What are the key properties of 2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide?
2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 333.23 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 103753955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).