6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide

C14H13BrN2O — CID 103874038

IUPAC6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(Br)n2)cc1C
InChIInChI=1S/C14H13BrN2O/c1-9-6-7-11(8-10(9)2)16-14(18)12-4-3-5-13(15)17-12/h3-8H,1-2H3,(H,16,18)
InChIKeyHEQSNIAXZYWFCN-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.71
Rot. Bonds2

About 6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide

6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 103874038) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
PubChem CID103874038
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(Br)n2)cc1C
InChIInChI=1S/C14H13BrN2O/c1-9-6-7-11(8-10(9)2)16-14(18)12-4-3-5-13(15)17-12/h3-8H,1-2H3,(H,16,18)
InChIKeyHEQSNIAXZYWFCN-UHFFFAOYSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-N-(3,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109100456
6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 113343016
6-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 103874045
6-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 103875218
6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 113343282
N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573565
6-N-(3,4-dimethylphenyl)-2-N-(4-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100441
6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 103889781
6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 103874074
N-(4-bromo-3-methylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62239926
2-N-(3,4-dimethylphenyl)-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100442
6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 103875193

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide (CID 103874038) is 6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cccc(Br)n2)cc1C.
What is the InChIKey of 6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is HEQSNIAXZYWFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-9-6-7-11(8-10(9)2)16-14(18)12-4-3-5-13(15)17-12/h3-8H,1-2H3,(H,16,18).
What are the key properties of 6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 103874038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).