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

C13H12BrN3O — CID 66463472

IUPAC6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C13H12BrN3O/c1-17(9-10-3-2-6-15-7-10)13(18)11-4-5-12(14)16-8-11/h2-8H,9H2,1H3
InChIKeyHCAPBGGXFOZHOL-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.51
Rot. Bonds3

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

6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 66463472) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID66463472
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C13H12BrN3O/c1-17(9-10-3-2-6-15-7-10)13(18)11-4-5-12(14)16-8-11/h2-8H,9H2,1H3
InChIKeyHCAPBGGXFOZHOL-UHFFFAOYSA-N
XLogP2.51
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.51
H-Bond Donors ≤ 50
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-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 66464110
N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 78872697
N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 87002105
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78770854
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466
6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 66464077
2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 115116120
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 66463472) is 6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is CN(Cc1cccnc1)C(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is HCAPBGGXFOZHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-17(9-10-3-2-6-15-7-10)13(18)11-4-5-12(14)16-8-11/h2-8H,9H2,1H3.
What are the key properties of 6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 2.51, 3 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-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 66463472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).