N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide

C12H10BrN3O — CID 103789491

IUPACN-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C12H10BrN3O/c1-8-3-2-6-14-11(8)12(17)16-9-4-5-10(13)15-7-9/h2-7H,1H3,(H,16,17)
InChIKeyYBCPARSSPYTHPM-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.80
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide

N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide (PubChem CID 103789491) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide
PubChem CID103789491
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC NameN-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C12H10BrN3O/c1-8-3-2-6-14-11(8)12(17)16-9-4-5-10(13)15-7-9/h2-7H,1H3,(H,16,17)
InChIKeyYBCPARSSPYTHPM-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide
CID 62338956
N-(4-iodophenyl)-3-methylpyridine-2-carboxamide
CID 62339482
N-(2-bromo-5-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 103753363
3-methyl-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 62340011
N-(6-bromo-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 103789394
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077
3-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 115680590
3-methyl-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 62339318
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide
CID 103789352
N-(6-chloro-5-methyl-3-pyridinyl)-3-hydroxypyridine-2-carboxamide
CID 104954751

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide (CID 103789491) is N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)Nc1ccc(Br)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide?
The InChIKey is YBCPARSSPYTHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-8-3-2-6-14-11(8)12(17)16-9-4-5-10(13)15-7-9/h2-7H,1H3,(H,16,17).
What are the key properties of N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide?
N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide has a molecular weight of 292.14 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 103789491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).