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

C12H17BrN2O — CID 103889719

IUPAC6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide
SMILESCC(C)(C)CCNC(=O)c1cccc(Br)n1
InChIInChI=1S/C12H17BrN2O/c1-12(2,3)7-8-14-11(16)9-5-4-6-10(13)15-9/h4-6H,7-8H2,1-3H3,(H,14,16)
InChIKeyACDUIVYGIXIVSQ-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.01
Rot. Bonds3

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

6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide (PubChem CID 103889719) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide
PubChem CID103889719
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide
SMILESCC(C)(C)CCNC(=O)c1cccc(Br)n1
InChIInChI=1S/C12H17BrN2O/c1-12(2,3)7-8-14-11(16)9-5-4-6-10(13)15-9/h4-6H,7-8H2,1-3H3,(H,14,16)
InChIKeyACDUIVYGIXIVSQ-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate
CID 18918524
4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid
CID 19966484
6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 103917004
6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 103916813
6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide
CID 103879438
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
6-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridine-2-carboxamide
CID 103879701
6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 103916694
6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 103889552
6-bromo-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide
CID 103890083
6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 103875005

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide (CID 103889719) is 6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide is CC(C)(C)CCNC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide?
The InChIKey is ACDUIVYGIXIVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-12(2,3)7-8-14-11(16)9-5-4-6-10(13)15-9/h4-6H,7-8H2,1-3H3,(H,14,16).
What are the key properties of 6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide?
6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide has a molecular weight of 285.19 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 103889719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).