6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide

C12H17BrN2O — CID 103461110

IUPAC6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
SMILESCCC(C)(C)CNC(=O)c1ccc(Br)nc1
InChIInChI=1S/C12H17BrN2O/c1-4-12(2,3)8-15-11(16)9-5-6-10(13)14-7-9/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyBMMQYPZIWAKONM-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.01
Rot. Bonds4

About 6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide

6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide (PubChem CID 103461110) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
PubChem CID103461110
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
SMILESCCC(C)(C)CNC(=O)c1ccc(Br)nc1
InChIInChI=1S/C12H17BrN2O/c1-4-12(2,3)8-15-11(16)9-5-6-10(13)14-7-9/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyBMMQYPZIWAKONM-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103464702
6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102904942
6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 66465126
6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide
CID 103719398
2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 66463637
6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide
CID 115968711
5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 103464504
N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide
CID 103461999
N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 66463277
6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759392
6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 79420880
6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 115670742

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide (CID 103461110) is 6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide is CCC(C)(C)CNC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide?
The InChIKey is BMMQYPZIWAKONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-4-12(2,3)8-15-11(16)9-5-6-10(13)14-7-9/h5-7H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide?
6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide has a molecular weight of 285.19 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 103461110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).