2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide

C10H13BrN2O2 — CID 63680838

IUPAC2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
SMILESCCCn1cc(NC(=O)CBr)ccc1=O
InChIInChI=1S/C10H13BrN2O2/c1-2-5-13-7-8(3-4-10(13)15)12-9(14)6-11/h3-4,7H,2,5-6H2,1H3,(H,12,14)
InChIKeyMSULHHWEGOSEMU-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.59
Rot. Bonds4

About 2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide

2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide (PubChem CID 63680838) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
PubChem CID63680838
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
SMILESCCCn1cc(NC(=O)CBr)ccc1=O
InChIInChI=1S/C10H13BrN2O2/c1-2-5-13-7-8(3-4-10(13)15)12-9(14)6-11/h3-4,7H,2,5-6H2,1H3,(H,12,14)
InChIKeyMSULHHWEGOSEMU-UHFFFAOYSA-N
XLogP1.59
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid
CID 60933349
N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 54862555
4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 81075823
2-(cyclopropylamino)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 54862565
2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 62657037
N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 60928332
1-amino-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 65465309
2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 115431967
3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 61103566
2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 80973094
2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 65230096

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide?
The IUPAC name of 2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide (CID 63680838) is 2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide is CCCn1cc(NC(=O)CBr)ccc1=O.
What is the InChIKey of 2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide?
The InChIKey is MSULHHWEGOSEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-2-5-13-7-8(3-4-10(13)15)12-9(14)6-11/h3-4,7H,2,5-6H2,1H3,(H,12,14).
What are the key properties of 2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide?
2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide has a molecular weight of 273.13 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide is sourced from PubChem (CID 63680838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).