5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide

C12H16Br2N2O — CID 106169604

IUPAC5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide
SMILESCCC(C)(CCBr)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H16Br2N2O/c1-3-12(2,6-7-13)16-11(17)10-5-4-9(14)8-15-10/h4-5,8H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyGGRZCXKNDAYIKO-UHFFFAOYSA-N
MW364.08 g/mol
LogP3.53
Rot. Bonds5

About 5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide

5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide (PubChem CID 106169604) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is 5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide
PubChem CID106169604
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC Name5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide
SMILESCCC(C)(CCBr)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H16Br2N2O/c1-3-12(2,6-7-13)16-11(17)10-5-4-9(14)8-15-10/h4-5,8H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyGGRZCXKNDAYIKO-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64555627
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
CID 55153816
2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 62958243
3-[(5-bromopyridine-2-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532186
2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793016
3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide
CID 106169560
4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide
CID 106169569
5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide
CID 106255667
3-bromo-N-(1-bromo-3-methylpentan-3-yl)-5-chlorobenzamide
CID 106169473
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 115606439
5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106329081
N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide
CID 106169565

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide (CID 106169604) is 5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide is CCC(C)(CCBr)NC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide?
The InChIKey is GGRZCXKNDAYIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c1-3-12(2,6-7-13)16-11(17)10-5-4-9(14)8-15-10/h4-5,8H,3,6-7H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide?
5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide has a molecular weight of 364.08 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 106169604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).