N-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide

C13H18BrClN2O — CID 114282380

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)Nc1cnc(Cl)c(Br)c1)C(C)C
InChIInChI=1S/C13H18BrClN2O/c1-7(2)11(8(3)4)13(18)17-9-5-10(14)12(15)16-6-9/h5-8,11H,1-4H3,(H,17,18)
InChIKeyVLXUSRWQAHWRHY-UHFFFAOYSA-N
MW333.66 g/mol
LogP4.36
Rot. Bonds4

About N-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide

N-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide (PubChem CID 114282380) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide
PubChem CID114282380
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)Nc1cnc(Cl)c(Br)c1)C(C)C
InChIInChI=1S/C13H18BrClN2O/c1-7(2)11(8(3)4)13(18)17-9-5-10(14)12(15)16-6-9/h5-8,11H,1-4H3,(H,17,18)
InChIKeyVLXUSRWQAHWRHY-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 54.36
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

4-[(5-bromo-6-chloro-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 114050182
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide
CID 103816457
N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
CID 114050552
N-(5-bromo-6-chloro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103816486
N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide
CID 103816430
2-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-methylbenzamide
CID 113434241
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide
CID 103816473
N-(5-bromo-6-chloro-3-pyridinyl)-2-(2-fluorophenyl)acetamide
CID 103816476
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 104624744
N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide
CID 103816540
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide
CID 103730347

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide (CID 114282380) is N-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide is CC(C)C(C(=O)Nc1cnc(Cl)c(Br)c1)C(C)C.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide?
The InChIKey is VLXUSRWQAHWRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O/c1-7(2)11(8(3)4)13(18)17-9-5-10(14)12(15)16-6-9/h5-8,11H,1-4H3,(H,17,18).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide?
N-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide has a molecular weight of 333.66 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 114282380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).