N-(3,4-dibromophenyl)pyridine-4-carboxamide

C12H8Br2N2O — CID 4139948

IUPACN-(3,4-dibromophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(Br)c1)c1ccncc1
InChIInChI=1S/C12H8Br2N2O/c13-10-2-1-9(7-11(10)14)16-12(17)8-3-5-15-6-4-8/h1-7H,(H,16,17)
InChIKeyIIYGZECBQRJVPI-UHFFFAOYSA-N
MW356.02 g/mol
LogP3.86
Rot. Bonds2

About N-(3,4-dibromophenyl)pyridine-4-carboxamide

N-(3,4-dibromophenyl)pyridine-4-carboxamide (PubChem CID 4139948) has the molecular formula C12H8Br2N2O and a molecular weight of 356.02 g/mol. Its IUPAC name is N-(3,4-dibromophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dibromophenyl)pyridine-4-carboxamide
PubChem CID4139948
Molecular FormulaC12H8Br2N2O
Molecular Weight356.02 g/mol
Exact Mass353.90
IUPAC NameN-(3,4-dibromophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(Br)c1)c1ccncc1
InChIInChI=1S/C12H8Br2N2O/c13-10-2-1-9(7-11(10)14)16-12(17)8-3-5-15-6-4-8/h1-7H,(H,16,17)
InChIKeyIIYGZECBQRJVPI-UHFFFAOYSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.02
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dibromophenyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
N-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide
CID 18270594
N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988
N-(3-fluoro-4-hydroxyphenyl)pyridine-4-carboxamide
CID 64780099
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
N-(2-bromophenyl)pyridine-4-carboxamide
CID 882176
N-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide
CID 47228006
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide
CID 81449888
2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
CID 35828938

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dibromophenyl)pyridine-4-carboxamide?
The IUPAC name of N-(3,4-dibromophenyl)pyridine-4-carboxamide (CID 4139948) is N-(3,4-dibromophenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-dibromophenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-dibromophenyl)pyridine-4-carboxamide is O=C(Nc1ccc(Br)c(Br)c1)c1ccncc1.
What is the InChIKey of N-(3,4-dibromophenyl)pyridine-4-carboxamide?
The InChIKey is IIYGZECBQRJVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O/c13-10-2-1-9(7-11(10)14)16-12(17)8-3-5-15-6-4-8/h1-7H,(H,16,17).
What are the key properties of N-(3,4-dibromophenyl)pyridine-4-carboxamide?
N-(3,4-dibromophenyl)pyridine-4-carboxamide has a molecular weight of 356.02 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dibromophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 4139948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).