5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide

C13H20BrN3O — CID 55047297

IUPAC5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)N(C)CCC(C)C
InChIInChI=1S/C13H20BrN3O/c1-9(2)5-6-17(4)13(18)11-7-10(14)8-16-12(11)15-3/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyUJHNZJGWAXKBQJ-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.00
Rot. Bonds5

About 5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide

5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide (PubChem CID 55047297) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide
PubChem CID55047297
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)N(C)CCC(C)C
InChIInChI=1S/C13H20BrN3O/c1-9(2)5-6-17(4)13(18)11-7-10(14)8-16-12(11)15-3/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyUJHNZJGWAXKBQJ-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62179231
5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide
CID 62168980
5-bromo-N-methyl-2-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62169583
5-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 64518925
5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 63838945
5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 81075105
2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 114193918
5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62168618
5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
CID 83022924
5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63537700
5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113466911
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 79386356

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide (CID 55047297) is 5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)N(C)CCC(C)C.
What is the InChIKey of 5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is UJHNZJGWAXKBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-9(2)5-6-17(4)13(18)11-7-10(14)8-16-12(11)15-3/h7-9H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide?
5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 314.23 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 55047297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).