2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide

C13H21BrN4O — CID 62159754

IUPAC2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H21BrN4O/c1-8(2)11(7-18(3)4)17-13(19)10-5-9(14)6-16-12(10)15/h5-6,8,11H,7H2,1-4H3,(H2,15,16)(H,17,19)
InChIKeyWQOZTPYQYYYHHV-UHFFFAOYSA-N
MW329.24 g/mol
LogP1.74
Rot. Bonds5

About 2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide

2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide (PubChem CID 62159754) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
PubChem CID62159754
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H21BrN4O/c1-8(2)11(7-18(3)4)17-13(19)10-5-9(14)6-16-12(10)15/h5-6,8,11H,7H2,1-4H3,(H2,15,16)(H,17,19)
InChIKeyWQOZTPYQYYYHHV-UHFFFAOYSA-N
XLogP1.74
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 62000473
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035
2-amino-5-bromo-N-pentan-2-ylpyridine-3-carboxamide
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2-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
CID 63837381
2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide
CID 55082851
2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102907966
2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287868
2-amino-5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 106389722
2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62160177
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide
CID 55041620
5-bromo-N-[1-(dimethylamino)propan-2-yl]-2-(ethylamino)pyridine-3-carboxamide
CID 82949791

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide (CID 62159754) is 2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide is CC(C)C(CN(C)C)NC(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide?
The InChIKey is WQOZTPYQYYYHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-8(2)11(7-18(3)4)17-13(19)10-5-9(14)6-16-12(10)15/h5-6,8,11H,7H2,1-4H3,(H2,15,16)(H,17,19).
What are the key properties of 2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide?
2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide has a molecular weight of 329.24 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 62159754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).