N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide

C15H23BrN2O — CID 83171017

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide
SMILESCc1cc(Br)cnc1NC(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C15H23BrN2O/c1-10(8-15(3,4)5)6-13(19)18-14-11(2)7-12(16)9-17-14/h7,9-10H,6,8H2,1-5H3,(H,17,18,19)
InChIKeyARFBUDUMAPKDDT-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.55
Rot. Bonds4

About N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide

N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide (PubChem CID 83171017) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide
PubChem CID83171017
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide
SMILESCc1cc(Br)cnc1NC(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C15H23BrN2O/c1-10(8-15(3,4)5)6-13(19)18-14-11(2)7-12(16)9-17-14/h7,9-10H,6,8H2,1-5H3,(H,17,18,19)
InChIKeyARFBUDUMAPKDDT-UHFFFAOYSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 81489506
N-(4-bromo-3-methylphenyl)-3,5,5-trimethylhexanamide
CID 43321101
1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea
CID 83170861
3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide
CID 60974660
4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 83166512
N-(5-bromo-3-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 81489668
N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide
CID 67362705
2-(azetidin-3-yl)-N-(5-bromo-3-methyl-2-pyridinyl)acetamide
CID 83170220
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid
CID 167870567
N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide
CID 112555256
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-(ethylamino)pyridine-3-carboxamide
CID 83169522
N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide
CID 81489498

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide (CID 83171017) is N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide is Cc1cc(Br)cnc1NC(=O)CC(C)CC(C)(C)C.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide?
The InChIKey is ARFBUDUMAPKDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-10(8-15(3,4)5)6-13(19)18-14-11(2)7-12(16)9-17-14/h7,9-10H,6,8H2,1-5H3,(H,17,18,19).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide?
N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide has a molecular weight of 327.27 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide is sourced from PubChem (CID 83171017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).