5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide

C14H12Br2N2O — CID 107574886

IUPAC5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cncc(Br)c2)cc(C)c1Br
InChIInChI=1S/C14H12Br2N2O/c1-8-3-12(4-9(2)13(8)16)18-14(19)10-5-11(15)7-17-6-10/h3-7H,1-2H3,(H,18,19)
InChIKeyZKAVXOPVJCHORJ-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.48
Rot. Bonds2

About 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide

5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 107574886) has the molecular formula C14H12Br2N2O and a molecular weight of 384.07 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
PubChem CID107574886
Molecular FormulaC14H12Br2N2O
Molecular Weight384.07 g/mol
Exact Mass381.93
IUPAC Name5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cncc(Br)c2)cc(C)c1Br
InChIInChI=1S/C14H12Br2N2O/c1-8-3-12(4-9(2)13(8)16)18-14(19)10-5-11(15)7-17-6-10/h3-7H,1-2H3,(H,18,19)
InChIKeyZKAVXOPVJCHORJ-UHFFFAOYSA-N
XLogP4.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 731484
N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 106491097
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 1267701
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide
CID 106491133
5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide
CID 122150353
5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
CID 60628517
5-bromo-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 29367937
N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide
CID 107573361

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide (CID 107574886) is 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide is Cc1cc(NC(=O)c2cncc(Br)c2)cc(C)c1Br.
What is the InChIKey of 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is ZKAVXOPVJCHORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O/c1-8-3-12(4-9(2)13(8)16)18-14(19)10-5-11(15)7-17-6-10/h3-7H,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide?
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 384.07 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 107574886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).