2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide

C14H13Br2N3O — CID 103758959

IUPAC2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)c1cccnc1Br
InChIInChI=1S/C14H13Br2N3O/c1-19(2)12-6-5-9(15)8-11(12)18-14(20)10-4-3-7-17-13(10)16/h3-8H,1-2H3,(H,18,20)
InChIKeySSWQMVZGPJLECM-UHFFFAOYSA-N
MW399.09 g/mol
LogP3.92
Rot. Bonds3

About 2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide

2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide (PubChem CID 103758959) has the molecular formula C14H13Br2N3O and a molecular weight of 399.09 g/mol. Its IUPAC name is 2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide
PubChem CID103758959
Molecular FormulaC14H13Br2N3O
Molecular Weight399.09 g/mol
Exact Mass396.94
IUPAC Name2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)c1cccnc1Br
InChIInChI=1S/C14H13Br2N3O/c1-19(2)12-6-5-9(15)8-11(12)18-14(20)10-4-3-7-17-13(10)16/h3-8H,1-2H3,(H,18,20)
InChIKeySSWQMVZGPJLECM-UHFFFAOYSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.09
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide
CID 61213111
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 113255059
6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 103889568
N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide
CID 78948597
2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide
CID 103758995
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide
CID 63110560
methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
CID 103754028
2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 104870910
2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 113255067
2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 103754100
2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 103885438

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide (CID 103758959) is 2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide is CN(C)c1ccc(Br)cc1NC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is SSWQMVZGPJLECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N3O/c1-19(2)12-6-5-9(15)8-11(12)18-14(20)10-4-3-7-17-13(10)16/h3-8H,1-2H3,(H,18,20).
What are the key properties of 2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide?
2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 399.09 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 103758959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).