N-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide

C20H22N2O2 — CID 139012958

IUPACN-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide
SMILESO=C(CC1=CCCCC1)Nc1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H22N2O2/c23-19(14-16-8-3-1-4-9-16)21-18-12-7-13-22(20(18)24)15-17-10-5-2-6-11-17/h2,5-8,10-13H,1,3-4,9,14-15H2,(H,21,23)
InChIKeyZSEVZMJTOPNESV-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.73
Rot. Bonds5

About N-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide

N-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide (PubChem CID 139012958) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide
PubChem CID139012958
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide
SMILESO=C(CC1=CCCCC1)Nc1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H22N2O2/c23-19(14-16-8-3-1-4-9-16)21-18-12-7-13-22(20(18)24)15-17-10-5-2-6-11-17/h2,5-8,10-13H,1,3-4,9,14-15H2,(H,21,23)
InChIKeyZSEVZMJTOPNESV-UHFFFAOYSA-N
XLogP3.73
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-benzyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 71921771
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 71921768
N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 97053772
2-(cyclohexen-1-yl)-N-(2-sulfamoylphenyl)acetamide
CID 63563480
2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 63563470
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]benzoate
CID 63563667
1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclopropylurea
CID 167960559
2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 71921798
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
CID 71856302
2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
CID 114490988
2-(cyclopropylmethylamino)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 119811074
N-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide
CID 64786368

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide?
The IUPAC name of N-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide (CID 139012958) is N-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide.
What is the SMILES notation for N-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide?
The canonical SMILES for N-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide is O=C(CC1=CCCCC1)Nc1cccn(Cc2ccccc2)c1=O.
What is the InChIKey of N-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide?
The InChIKey is ZSEVZMJTOPNESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19(14-16-8-3-1-4-9-16)21-18-12-7-13-22(20(18)24)15-17-10-5-2-6-11-17/h2,5-8,10-13H,1,3-4,9,14-15H2,(H,21,23).
What are the key properties of N-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide?
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide is sourced from PubChem (CID 139012958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).