3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide

C23H20ClN3O3 — CID 54774919

IUPAC3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide
SMILESO=C(CC(c1ccccc1Cl)N1C(=O)C2C3C=CC(C3)C2C1=O)Nc1cccnc1
InChIInChI=1S/C23H20ClN3O3/c24-17-6-2-1-5-16(17)18(11-19(28)26-15-4-3-9-25-12-15)27-22(29)20-13-7-8-14(10-13)21(20)23(27)30/h1-9,12-14,18,20-21H,10-11H2,(H,26,28)
InChIKeyGLRJYQFFEFOBSA-UHFFFAOYSA-N
MW421.88 g/mol
LogP3.61
Rot. Bonds5

About 3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide

3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide (PubChem CID 54774919) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide
PubChem CID54774919
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC Name3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide
SMILESO=C(CC(c1ccccc1Cl)N1C(=O)C2C3C=CC(C3)C2C1=O)Nc1cccnc1
InChIInChI=1S/C23H20ClN3O3/c24-17-6-2-1-5-16(17)18(11-19(28)26-15-4-3-9-25-12-15)27-22(29)20-13-7-8-14(10-13)21(20)23(27)30/h1-9,12-14,18,20-21H,10-11H2,(H,26,28)
InChIKeyGLRJYQFFEFOBSA-UHFFFAOYSA-N
XLogP3.61
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide 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

3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(4-hydroxyphenyl)propanamide
CID 54774895
3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-quinoxalin-6-ylpropanamide
CID 54774936
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)-N-pyridin-3-ylpropanamide
CID 54774639
(2R)-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-phenyl-N-pyridin-3-ylpropanamide
CID 98158707
N,3-bis(4-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide
CID 54774830
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 54774894
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(3-hydroxy-2-pyridinyl)-3-phenylpropanamide
CID 50740495
1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea
CID 18101923
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(2-methylphenyl)propanamide
CID 54774886
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(2-methylphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 54774918
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 50740512
3-(3-bromophenyl)-N-(4-bromophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide
CID 54774573

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide (CID 54774919) is 3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide is O=C(CC(c1ccccc1Cl)N1C(=O)C2C3C=CC(C3)C2C1=O)Nc1cccnc1.
What is the InChIKey of 3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide?
The InChIKey is GLRJYQFFEFOBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c24-17-6-2-1-5-16(17)18(11-19(28)26-15-4-3-9-25-12-15)27-22(29)20-13-7-8-14(10-13)21(20)23(27)30/h1-9,12-14,18,20-21H,10-11H2,(H,26,28).
What are the key properties of 3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide?
3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide has a molecular weight of 421.88 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 54774919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).