6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide

C13H20BrN3O — CID 66463336

IUPAC6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
SMILESCC(C)C(CNC(=O)c1ccc(Br)nc1)N(C)C
InChIInChI=1S/C13H20BrN3O/c1-9(2)11(17(3)4)8-16-13(18)10-5-6-12(14)15-7-10/h5-7,9,11H,8H2,1-4H3,(H,16,18)
InChIKeyIUHBNWQNMMYJFO-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.16
Rot. Bonds5

About 6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide

6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide (PubChem CID 66463336) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
PubChem CID66463336
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
SMILESCC(C)C(CNC(=O)c1ccc(Br)nc1)N(C)C
InChIInChI=1S/C13H20BrN3O/c1-9(2)11(17(3)4)8-16-13(18)10-5-6-12(14)15-7-10/h5-7,9,11H,8H2,1-4H3,(H,16,18)
InChIKeyIUHBNWQNMMYJFO-UHFFFAOYSA-N
XLogP2.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.16
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

6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102904942
6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 66464337
6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759392
6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115669873
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103719046
6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 66462156
6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide
CID 103719398
N-(3-amino-2-hydroxy-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 106165096
6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide
CID 66462778
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
6-methoxy-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914743

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide (CID 66463336) is 6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide is CC(C)C(CNC(=O)c1ccc(Br)nc1)N(C)C.
What is the InChIKey of 6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide?
The InChIKey is IUHBNWQNMMYJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-9(2)11(17(3)4)8-16-13(18)10-5-6-12(14)15-7-10/h5-7,9,11H,8H2,1-4H3,(H,16,18).
What are the key properties of 6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide?
6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide has a molecular weight of 314.23 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide is sourced from PubChem (CID 66463336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).