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

C14H13BrN2O — CID 107517768

IUPAC3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ncccc2Br)cc1C
InChIInChI=1S/C14H13BrN2O/c1-9-5-6-11(8-10(9)2)17-14(18)13-12(15)4-3-7-16-13/h3-8H,1-2H3,(H,17,18)
InChIKeyNPPMWNKTNDGZJS-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.71
Rot. Bonds2

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

3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 107517768) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
PubChem CID107517768
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ncccc2Br)cc1C
InChIInChI=1S/C14H13BrN2O/c1-9-5-6-11(8-10(9)2)17-14(18)13-12(15)4-3-7-16-13/h3-8H,1-2H3,(H,17,18)
InChIKeyNPPMWNKTNDGZJS-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

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Related Compounds

4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066
3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 107519556
N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide
CID 62338956
N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516882
5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107516941
3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide
CID 107791028
3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide
CID 107519279
3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 107518027
N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516937
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
N-(3-amino-2,6-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516838
3-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 107517736

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide (CID 107517768) is 3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ncccc2Br)cc1C.
What is the InChIKey of 3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is NPPMWNKTNDGZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-9-5-6-11(8-10(9)2)17-14(18)13-12(15)4-3-7-16-13/h3-8H,1-2H3,(H,17,18).
What are the key properties of 3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
3-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 3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107517768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).