6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide

C12H10BrN3O — CID 103889921

IUPAC6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide
SMILESCN(C(=O)c1cccc(Br)n1)c1cccnc1
InChIInChI=1S/C12H10BrN3O/c1-16(9-4-3-7-14-8-9)12(17)10-5-2-6-11(13)15-10/h2-8H,1H3
InChIKeyPZTPJMYSQORKFB-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.52
Rot. Bonds2

About 6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide

6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 103889921) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide
PubChem CID103889921
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide
SMILESCN(C(=O)c1cccc(Br)n1)c1cccnc1
InChIInChI=1S/C12H10BrN3O/c1-16(9-4-3-7-14-8-9)12(17)10-5-2-6-11(13)15-10/h2-8H,1H3
InChIKeyPZTPJMYSQORKFB-UHFFFAOYSA-N
XLogP2.52
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-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

6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 103874290
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
2-(3-hydroxy-2-pyridinyl)-N-methyl-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 163627108
6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 103874287
3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide
CID 107872797
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 106936576
6-methoxy-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 59607054
4-acetamido-N-methyl-N-pyridin-3-ylbenzamide
CID 59607027
6-methoxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 110856921
2-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381341
N-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998985

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide (CID 103889921) is 6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide is CN(C(=O)c1cccc(Br)n1)c1cccnc1.
What is the InChIKey of 6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is PZTPJMYSQORKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-16(9-4-3-7-14-8-9)12(17)10-5-2-6-11(13)15-10/h2-8H,1H3.
What are the key properties of 6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide?
6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 292.14 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 103889921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).