N-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide

C12H18BrN3O — CID 114212725

IUPACN-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)Nc1ncc(N)cc1Br
InChIInChI=1S/C12H18BrN3O/c1-12(2,3)5-4-10(17)16-11-9(13)6-8(14)7-15-11/h6-7H,4-5,14H2,1-3H3,(H,15,16,17)
InChIKeyKGYLEKIZTKTVEH-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.19
Rot. Bonds3

About N-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide

N-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide (PubChem CID 114212725) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is N-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide
PubChem CID114212725
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC NameN-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)Nc1ncc(N)cc1Br
InChIInChI=1S/C12H18BrN3O/c1-12(2,3)5-4-10(17)16-11-9(13)6-8(14)7-15-11/h6-7H,4-5,14H2,1-3H3,(H,15,16,17)
InChIKeyKGYLEKIZTKTVEH-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
CID 79532457
N-(5-amino-3-bromo-2-pyridinyl)-2-cyclobutylacetamide
CID 103161641
3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
CID 79160095
4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide
CID 114074171
4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106140711
N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223
N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 79985523
N-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide
CID 114212732
2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol
CID 79534553
N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104669265
N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide
CID 107937535
N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669267

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide?
The IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide (CID 114212725) is N-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide.
What is the SMILES notation for N-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide?
The canonical SMILES for N-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide is CC(C)(C)CCC(=O)Nc1ncc(N)cc1Br.
What is the InChIKey of N-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide?
The InChIKey is KGYLEKIZTKTVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-12(2,3)5-4-10(17)16-11-9(13)6-8(14)7-15-11/h6-7H,4-5,14H2,1-3H3,(H,15,16,17).
What are the key properties of N-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide?
N-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide has a molecular weight of 300.20 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 114212725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).