N-(5-bromo-2-pyridinyl)pent-4-enamide

C10H11BrN2O — CID 2265971

IUPACN-(5-bromo-2-pyridinyl)pent-4-enamide
SMILESC=CCCC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C10H11BrN2O/c1-2-3-4-10(14)13-9-6-5-8(11)7-12-9/h2,5-7H,1,3-4H2,(H,12,13,14)
InChIKeyKOUUZUYYUKXXGU-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.75
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)pent-4-enamide

N-(5-bromo-2-pyridinyl)pent-4-enamide (PubChem CID 2265971) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)pent-4-enamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)pent-4-enamide
PubChem CID2265971
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC NameN-(5-bromo-2-pyridinyl)pent-4-enamide
SMILESC=CCCC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C10H11BrN2O/c1-2-3-4-10(14)13-9-6-5-8(11)7-12-9/h2,5-7H,1,3-4H2,(H,12,13,14)
InChIKeyKOUUZUYYUKXXGU-UHFFFAOYSA-N
XLogP2.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)pent-4-enamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)pent-4-enamide (CID 2265971) is N-(5-bromo-2-pyridinyl)pent-4-enamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)pent-4-enamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)pent-4-enamide is C=CCCC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)pent-4-enamide?
The InChIKey is KOUUZUYYUKXXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-2-3-4-10(14)13-9-6-5-8(11)7-12-9/h2,5-7H,1,3-4H2,(H,12,13,14).
What are the key properties of N-(5-bromo-2-pyridinyl)pent-4-enamide?
N-(5-bromo-2-pyridinyl)pent-4-enamide has a molecular weight of 255.11 g/mol, XLogP of 2.75, 4 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)pent-4-enamide is sourced from PubChem (CID 2265971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).