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

C14H13Br2N3O — CID 103889568

IUPAC6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)c1cccc(Br)n1
InChIInChI=1S/C14H13Br2N3O/c1-19(2)12-7-6-9(15)8-11(12)18-14(20)10-4-3-5-13(16)17-10/h3-8H,1-2H3,(H,18,20)
InChIKeyIJOJIIDBDTUWNQ-UHFFFAOYSA-N
MW399.09 g/mol
LogP3.92
Rot. Bonds3

About 6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide

6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide (PubChem CID 103889568) has the molecular formula C14H13Br2N3O and a molecular weight of 399.09 g/mol. Its IUPAC name is 6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide
PubChem CID103889568
Molecular FormulaC14H13Br2N3O
Molecular Weight399.09 g/mol
Exact Mass396.94
IUPAC Name6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)c1cccc(Br)n1
InChIInChI=1S/C14H13Br2N3O/c1-19(2)12-7-6-9(15)8-11(12)18-14(20)10-4-3-5-13(16)17-10/h3-8H,1-2H3,(H,18,20)
InChIKeyIJOJIIDBDTUWNQ-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

6-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 103875218
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 103758959
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide
CID 61213111
N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497281
6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 113343282
N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide
CID 43700570
N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide
CID 78948597
N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide
CID 63860296
6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 103874055
6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 103874101
N-(4-bromo-2-ethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 81287386

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide (CID 103889568) is 6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide is CN(C)c1ccc(Br)cc1NC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is IJOJIIDBDTUWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N3O/c1-19(2)12-7-6-9(15)8-11(12)18-14(20)10-4-3-5-13(16)17-10/h3-8H,1-2H3,(H,18,20).
What are the key properties of 6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide?
6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-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 6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 103889568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).