N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide

C11H15BrN2O — CID 114314515

IUPACN-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide
SMILESCCC(C)(CBr)NC(=O)c1ccccn1
InChIInChI=1S/C11H15BrN2O/c1-3-11(2,8-12)14-10(15)9-6-4-5-7-13-9/h4-7H,3,8H2,1-2H3,(H,14,15)
InChIKeyWLIREAZJKBVAOT-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.38
Rot. Bonds4

About N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide

N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 114314515) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide
PubChem CID114314515
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide
SMILESCCC(C)(CBr)NC(=O)c1ccccn1
InChIInChI=1S/C11H15BrN2O/c1-3-11(2,8-12)14-10(15)9-6-4-5-7-13-9/h4-7H,3,8H2,1-2H3,(H,14,15)
InChIKeyWLIREAZJKBVAOT-UHFFFAOYSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.38
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

N-(1-amino-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64549265
N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 39902982
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 103890812
N-(1-bromo-2-methylbutan-2-yl)isoquinoline-1-carboxamide
CID 113275584
N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 110475836
N-(1-hydroxy-2-phenylpropan-2-yl)pyridine-2-carboxamide
CID 105059023
N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
CID 114314442
N-(1-bromo-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide
CID 113275632
N-(1-bromobutan-2-yl)pyridine-2-carboxamide
CID 114307782
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide
CID 110444346

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide (CID 114314515) is N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide is CCC(C)(CBr)NC(=O)c1ccccn1.
What is the InChIKey of N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is WLIREAZJKBVAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-11(2,8-12)14-10(15)9-6-4-5-7-13-9/h4-7H,3,8H2,1-2H3,(H,14,15).
What are the key properties of N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide?
N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 114314515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).