N-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide

C27H25N3O5 — CID 108590120

IUPACN-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2C(=O)C(=O)/C(=C(/O)c3cccc(OC(C)C)c3)C2c2ccccn2)c1
InChIInChI=1S/C27H25N3O5/c1-16(2)35-21-11-6-8-18(14-21)25(32)23-24(22-12-4-5-13-28-22)30(27(34)26(23)33)20-10-7-9-19(15-20)29-17(3)31/h4-16,24,32H,1-3H3,(H,29,31)/b25-23+
InChIKeyODOSNXWOPDUOEE-WJTDDFOZSA-N
MW471.51 g/mol
LogP4.45
Rot. Bonds6

About N-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide

N-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide (PubChem CID 108590120) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide
PubChem CID108590120
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC NameN-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2C(=O)C(=O)/C(=C(/O)c3cccc(OC(C)C)c3)C2c2ccccn2)c1
InChIInChI=1S/C27H25N3O5/c1-16(2)35-21-11-6-8-18(14-21)25(32)23-24(22-12-4-5-13-28-22)30(27(34)26(23)33)20-10-7-9-19(15-20)29-17(3)31/h4-16,24,32H,1-3H3,(H,29,31)/b25-23+
InChIKeyODOSNXWOPDUOEE-WJTDDFOZSA-N
XLogP4.45
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]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

(4E)-1-(3-fluorophenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108625204
N-[3-[(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide
CID 108590152
(4Z)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-1-(2-methylphenyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108626856
N-[3-[(4Z)-4-[hydroxy-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide
CID 108590145
N-[4-[(4Z)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]phenyl]acetamide
CID 108591597
(4E)-1-(3-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108625235
(4E)-4-[hydroxy-(3-propoxyphenyl)methylidene]-1-(3-methoxyphenyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108624855
N-[3-[(3Z)-2-(furan-2-yl)-3-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 108608002
(4Z)-1-(4-ethoxyphenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108589684
(4E)-1-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108723528
(4Z)-1-(4-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108625409
N-[3-[(3E)-2-(4-ethylphenyl)-3-[hydroxy-(3-propoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 108683784

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide (CID 108590120) is N-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2C(=O)C(=O)/C(=C(/O)c3cccc(OC(C)C)c3)C2c2ccccn2)c1.
What is the InChIKey of N-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is ODOSNXWOPDUOEE-WJTDDFOZSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-16(2)35-21-11-6-8-18(14-21)25(32)23-24(22-12-4-5-13-28-22)30(27(34)26(23)33)20-10-7-9-19(15-20)29-17(3)31/h4-16,24,32H,1-3H3,(H,29,31)/b25-23+.
What are the key properties of N-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide?
N-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 471.51 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 108590120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).