6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide

C12H13BrN4O — CID 113343278

IUPAC6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cccc(Br)n1
InChIInChI=1S/C12H13BrN4O/c1-7-11(8(2)17(3)16-7)15-12(18)9-5-4-6-10(13)14-9/h4-6H,1-3H3,(H,15,18)
InChIKeyJATFSEIJAUQCSS-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.45
Rot. Bonds2

About 6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide

6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 113343278) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID113343278
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cccc(Br)n1
InChIInChI=1S/C12H13BrN4O/c1-7-11(8(2)17(3)16-7)15-12(18)9-5-4-6-10(13)14-9/h4-6H,1-3H3,(H,15,18)
InChIKeyJATFSEIJAUQCSS-UHFFFAOYSA-N
XLogP2.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide
CID 103336954
3-bromo-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 5166739
N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35283696
6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 103874055
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038
4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 60698314
5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 30698931
N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide
CID 47113057
3-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 38105280
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
1-[(2,6-dichlorophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19393542
N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide
CID 61258967

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide (CID 113343278) is 6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide is Cc1nn(C)c(C)c1NC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is JATFSEIJAUQCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-7-11(8(2)17(3)16-7)15-12(18)9-5-4-6-10(13)14-9/h4-6H,1-3H3,(H,15,18).
What are the key properties of 6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide?
6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 309.17 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 113343278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).