5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide

C17H19BrN2O — CID 115606439

IUPAC5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide
SMILESCC(C)(CCc1ccccc1)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C17H19BrN2O/c1-17(2,11-10-13-6-4-3-5-7-13)20-16(21)15-9-8-14(18)12-19-15/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyUHEMOKORWPCPGS-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.99
Rot. Bonds5

About 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide

5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 115606439) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide
PubChem CID115606439
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide
SMILESCC(C)(CCc1ccccc1)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C17H19BrN2O/c1-17(2,11-10-13-6-4-3-5-7-13)20-16(21)15-9-8-14(18)12-19-15/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyUHEMOKORWPCPGS-UHFFFAOYSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 62958243
2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793016
N-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide
CID 122156320
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide
CID 115606453
5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106169604
5-bromo-N-phenylmethoxypyridine-2-carboxamide
CID 62998593
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64555627
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 86681798
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
CID 55153816
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62958073

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide (CID 115606439) is 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide is CC(C)(CCc1ccccc1)NC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is UHEMOKORWPCPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-17(2,11-10-13-6-4-3-5-7-13)20-16(21)15-9-8-14(18)12-19-15/h3-9,12H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide?
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 347.26 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 115606439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).