6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide

C15H15BrN2O — CID 103874287

IUPAC6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cccc(Br)n2)c(C)c1
InChIInChI=1S/C15H15BrN2O/c1-10-7-8-13(11(2)9-10)18(3)15(19)12-5-4-6-14(16)17-12/h4-9H,1-3H3
InChIKeyQEYPVMWHKZYMCG-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.74
Rot. Bonds2

About 6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide

6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide (PubChem CID 103874287) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
PubChem CID103874287
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cccc(Br)n2)c(C)c1
InChIInChI=1S/C15H15BrN2O/c1-10-7-8-13(11(2)9-10)18(3)15(19)12-5-4-6-14(16)17-12/h4-9H,1-3H3
InChIKeyQEYPVMWHKZYMCG-UHFFFAOYSA-N
XLogP3.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697007
6-cyano-N-(2,5-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 115116466
N-(2,4-dimethylphenyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide
CID 107375039
N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide
CID 47313258
6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 103889921
5-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 63723381
4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide
CID 81308269
2-bromo-N-(2,4-dimethylphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027687
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 103889658
3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide
CID 62002753
6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 103874290
2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614620

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide (CID 103874287) is 6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide is Cc1ccc(N(C)C(=O)c2cccc(Br)n2)c(C)c1.
What is the InChIKey of 6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide?
The InChIKey is QEYPVMWHKZYMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-7-8-13(11(2)9-10)18(3)15(19)12-5-4-6-14(16)17-12/h4-9H,1-3H3.
What are the key properties of 6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide?
6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 103874287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).