N-(2-bromo-3-pyridinyl)-2-methylbutanamide

C10H13BrN2O — CID 103819396

IUPACN-(2-bromo-3-pyridinyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cccnc1Br
InChIInChI=1S/C10H13BrN2O/c1-3-7(2)10(14)13-8-5-4-6-12-9(8)11/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyXPHVQCCZEKCOLW-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.83
Rot. Bonds3

About N-(2-bromo-3-pyridinyl)-2-methylbutanamide

N-(2-bromo-3-pyridinyl)-2-methylbutanamide (PubChem CID 103819396) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-2-methylbutanamide
PubChem CID103819396
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC NameN-(2-bromo-3-pyridinyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cccnc1Br
InChIInChI=1S/C10H13BrN2O/c1-3-7(2)10(14)13-8-5-4-6-12-9(8)11/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyXPHVQCCZEKCOLW-UHFFFAOYSA-N
XLogP2.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide
CID 106312918
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
2-(2-methylbutanoylamino)pyridine-3-carboxylic acid
CID 63654439
3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
CID 62727393
N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943345
N-(2-ethoxy-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 79196186
N-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide
CID 106737138
N-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 103819476
2-bromo-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 62855618
N-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 103819469
N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide
CID 103819498
N-[2-(1-chloroethyl)phenyl]-2-methylbutanamide
CID 114304941

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-2-methylbutanamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-2-methylbutanamide (CID 103819396) is N-(2-bromo-3-pyridinyl)-2-methylbutanamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-2-methylbutanamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-2-methylbutanamide is CCC(C)C(=O)Nc1cccnc1Br.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-2-methylbutanamide?
The InChIKey is XPHVQCCZEKCOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-3-7(2)10(14)13-8-5-4-6-12-9(8)11/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of N-(2-bromo-3-pyridinyl)-2-methylbutanamide?
N-(2-bromo-3-pyridinyl)-2-methylbutanamide has a molecular weight of 257.13 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-2-methylbutanamide is sourced from PubChem (CID 103819396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).