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

C11H15BrClN3O — CID 114052040

IUPAC2-amino-N-(5-bromo-2-chloro-3-pyridinyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C11H15BrClN3O/c1-2-3-4-8(14)11(17)16-9-5-7(12)6-15-10(9)13/h5-6,8H,2-4,14H2,1H3,(H,16,17)
InChIKeyURMLOYZOZLRKPC-UHFFFAOYSA-N
MW320.62 g/mol
LogP2.95
Rot. Bonds5

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

2-amino-N-(5-bromo-2-chloro-3-pyridinyl)hexanamide (PubChem CID 114052040) has the molecular formula C11H15BrClN3O and a molecular weight of 320.62 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-chloro-3-pyridinyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-chloro-3-pyridinyl)hexanamide
PubChem CID114052040
Molecular FormulaC11H15BrClN3O
Molecular Weight320.62 g/mol
Exact Mass319.01
IUPAC Name2-amino-N-(5-bromo-2-chloro-3-pyridinyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C11H15BrClN3O/c1-2-3-4-8(14)11(17)16-9-5-7(12)6-15-10(9)13/h5-6,8H,2-4,14H2,1H3,(H,16,17)
InChIKeyURMLOYZOZLRKPC-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

N-(5-bromo-2-chloro-3-pyridinyl)hexanamide
CID 102979268
2-amino-N-(5-bromo-2-methylphenyl)hexanamide
CID 60854245
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
CID 103830888
2-amino-N-(4-bromophenyl)hexanamide
CID 60852203
(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
CID 103831238
(2S)-2-amino-N-(4-bromo-2-cyanophenyl)hexanamide
CID 107146322
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 60853463
2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide
CID 60852954
N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide
CID 102979113
(2S)-2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide
CID 103831144
(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
CID 103830807

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-chloro-3-pyridinyl)hexanamide?
The IUPAC name of 2-amino-N-(5-bromo-2-chloro-3-pyridinyl)hexanamide (CID 114052040) is 2-amino-N-(5-bromo-2-chloro-3-pyridinyl)hexanamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-chloro-3-pyridinyl)hexanamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-chloro-3-pyridinyl)hexanamide is CCCCC(N)C(=O)Nc1cc(Br)cnc1Cl.
What is the InChIKey of 2-amino-N-(5-bromo-2-chloro-3-pyridinyl)hexanamide?
The InChIKey is URMLOYZOZLRKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3O/c1-2-3-4-8(14)11(17)16-9-5-7(12)6-15-10(9)13/h5-6,8H,2-4,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(5-bromo-2-chloro-3-pyridinyl)hexanamide?
2-amino-N-(5-bromo-2-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 2-amino-N-(5-bromo-2-chloro-3-pyridinyl)hexanamide is sourced from PubChem (CID 114052040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).