6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C12H10BrN3O — CID 66463466

IUPAC6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Br)nc1
InChIInChI=1S/C12H10BrN3O/c13-11-4-3-10(8-15-11)12(17)16-7-9-2-1-5-14-6-9/h1-6,8H,7H2,(H,16,17)
InChIKeyJKMASNOAGLFPOJ-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.17
Rot. Bonds3

About 6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 66463466) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID66463466
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Br)nc1
InChIInChI=1S/C12H10BrN3O/c13-11-4-3-10(8-15-11)12(17)16-7-9-2-1-5-14-6-9/h1-6,8H,7H2,(H,16,17)
InChIKeyJKMASNOAGLFPOJ-UHFFFAOYSA-N
XLogP2.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-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-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 115670742
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-benzylpyridine-3-carboxamide chloride
CID 21204170
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472
4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2193327
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 104851859
6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157985
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 66462090

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 66463466) is 6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccnc1)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is JKMASNOAGLFPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-11-4-3-10(8-15-11)12(17)16-7-9-2-1-5-14-6-9/h1-6,8H,7H2,(H,16,17).
What are the key properties of 6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 292.14 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 66463466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).