3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide

C11H15BrClN3O — CID 112749983

IUPAC3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide
SMILESCCCC(N)CC(=O)Nc1cc(Cl)cnc1Br
InChIInChI=1S/C11H15BrClN3O/c1-2-3-8(14)5-10(17)16-9-4-7(13)6-15-11(9)12/h4,6,8H,2-3,5,14H2,1H3,(H,16,17)
InChIKeyTVRMACXCALGSGH-UHFFFAOYSA-N
MW320.62 g/mol
LogP2.95
Rot. Bonds5

About 3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide

3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide (PubChem CID 112749983) has the molecular formula C11H15BrClN3O and a molecular weight of 320.62 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide
PubChem CID112749983
Molecular FormulaC11H15BrClN3O
Molecular Weight320.62 g/mol
Exact Mass319.01
IUPAC Name3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide
SMILESCCCC(N)CC(=O)Nc1cc(Cl)cnc1Br
InChIInChI=1S/C11H15BrClN3O/c1-2-3-8(14)5-10(17)16-9-4-7(13)6-15-11(9)12/h4,6,8H,2-3,5,14H2,1H3,(H,16,17)
InChIKeyTVRMACXCALGSGH-UHFFFAOYSA-N
XLogP2.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.62
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-bromo-5-chloro-3-pyridinyl)acetamide
CID 130535402
N-(2-bromo-5-chloro-3-pyridinyl)acetamide
CID 130535452
3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide
CID 104727161
3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide
CID 104668230
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052877
3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide
CID 103193341
3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide
CID 82817087
N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide
CID 112750056
2-(3-aminohexanoylamino)-4-phenylbenzoic acid
CID 57284160
3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide
CID 114001852
N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 112750068
2-amino-4-(5-chloro-2-methylanilino)-4-oxobutanoic acid
CID 3373131

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide?
The IUPAC name of 3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide (CID 112749983) is 3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide.
What is the SMILES notation for 3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide?
The canonical SMILES for 3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide is CCCC(N)CC(=O)Nc1cc(Cl)cnc1Br.
What is the InChIKey of 3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide?
The InChIKey is TVRMACXCALGSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3O/c1-2-3-8(14)5-10(17)16-9-4-7(13)6-15-11(9)12/h4,6,8H,2-3,5,14H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide?
3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide has a molecular weight of 320.62 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide is sourced from PubChem (CID 112749983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).