N-(5-bromo-2-pyridinyl)heptanamide

C12H17BrN2O — CID 2225203

IUPACN-(5-bromo-2-pyridinyl)heptanamide
SMILESCCCCCCC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C12H17BrN2O/c1-2-3-4-5-6-12(16)15-11-8-7-10(13)9-14-11/h7-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyGYIYOVLBQUMHOD-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.75
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)heptanamide

N-(5-bromo-2-pyridinyl)heptanamide (PubChem CID 2225203) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)heptanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)heptanamide
PubChem CID2225203
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC NameN-(5-bromo-2-pyridinyl)heptanamide
SMILESCCCCCCC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C12H17BrN2O/c1-2-3-4-5-6-12(16)15-11-8-7-10(13)9-14-11/h7-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyGYIYOVLBQUMHOD-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)heptanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)heptanamide (CID 2225203) is N-(5-bromo-2-pyridinyl)heptanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)heptanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)heptanamide is CCCCCCC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)heptanamide?
The InChIKey is GYIYOVLBQUMHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-2-3-4-5-6-12(16)15-11-8-7-10(13)9-14-11/h7-9H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-(5-bromo-2-pyridinyl)heptanamide?
N-(5-bromo-2-pyridinyl)heptanamide has a molecular weight of 285.18 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)heptanamide is sourced from PubChem (CID 2225203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).