N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide

C12H17BrN2O2 — CID 106355182

IUPACN-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)C(CCBr)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H17BrN2O2/c1-8(2)10(5-6-13)15-12(17)9-3-4-11(16)14-7-9/h3-4,7-8,10H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWXNHJVGDSMEYPA-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.91
Rot. Bonds5

About N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide

N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 106355182) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID106355182
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC NameN-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)C(CCBr)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H17BrN2O2/c1-8(2)10(5-6-13)15-12(17)9-3-4-11(16)14-7-9/h3-4,7-8,10H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWXNHJVGDSMEYPA-UHFFFAOYSA-N
XLogP1.91
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114178134
N-(1-bromo-4-methylpentan-3-yl)-3,4-dimethylbenzamide
CID 106355347
N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 62612412
N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide
CID 114145848
6-oxo-1H-pyridine-3-carbohydrazide
CID 11051863
N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide
CID 106355183
N-(1-bromo-4-methylpentan-3-yl)-3,5-difluorobenzamide
CID 106355065
N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide
CID 114389718
N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide
CID 106130808
N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119588511
N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60708849
N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114211336

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide (CID 106355182) is N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide is CC(C)C(CCBr)NC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WXNHJVGDSMEYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8(2)10(5-6-13)15-12(17)9-3-4-11(16)14-7-9/h3-4,7-8,10H,5-6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide?
N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 301.18 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106355182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).