N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide

C13H15BrN2O2 — CID 71860164

IUPACN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide
SMILESCn1cc(Br)cc(NC(=O)C2CC=CCC2)c1=O
InChIInChI=1S/C13H15BrN2O2/c1-16-8-10(14)7-11(13(16)18)15-12(17)9-5-3-2-4-6-9/h2-3,7-9H,4-6H2,1H3,(H,15,17)
InChIKeyYSMMHXMBSPUBDH-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.44
Rot. Bonds2

About N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide

N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide (PubChem CID 71860164) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide
PubChem CID71860164
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC NameN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide
SMILESCn1cc(Br)cc(NC(=O)C2CC=CCC2)c1=O
InChIInChI=1S/C13H15BrN2O2/c1-16-8-10(14)7-11(13(16)18)15-12(17)9-5-3-2-4-6-9/h2-3,7-9H,4-6H2,1H3,(H,15,17)
InChIKeyYSMMHXMBSPUBDH-UHFFFAOYSA-N
XLogP2.44
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide (CID 71860164) is N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide is Cn1cc(Br)cc(NC(=O)C2CC=CCC2)c1=O.
What is the InChIKey of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is YSMMHXMBSPUBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-16-8-10(14)7-11(13(16)18)15-12(17)9-5-3-2-4-6-9/h2-3,7-9H,4-6H2,1H3,(H,15,17).
What are the key properties of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide?
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71860164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).