methyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate

C18H17N3O4 — CID 110684590

IUPACmethyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C2CC(=O)N(c3cccnc3)C2)c1
InChIInChI=1S/C18H17N3O4/c1-25-18(24)12-4-2-5-14(8-12)20-17(23)13-9-16(22)21(11-13)15-6-3-7-19-10-15/h2-8,10,13H,9,11H2,1H3,(H,20,23)
InChIKeyOFNXWULBWXHLRK-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.86
Rot. Bonds4

About methyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate

methyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate (PubChem CID 110684590) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate
PubChem CID110684590
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Namemethyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C2CC(=O)N(c3cccnc3)C2)c1
InChIInChI=1S/C18H17N3O4/c1-25-18(24)12-4-2-5-14(8-12)20-17(23)13-9-16(22)21(11-13)15-6-3-7-19-10-15/h2-8,10,13H,9,11H2,1H3,(H,20,23)
InChIKeyOFNXWULBWXHLRK-UHFFFAOYSA-N
XLogP1.86
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate 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

methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 46586528
methyl 3-[[1-(4-cyanophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192036
methyl 3-[4-[(3,4-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189318
methyl 3-[[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113187822
methyl 3-[[1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113185952
methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate
CID 50873886
5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110684594
methyl 3-[4-[(4-cyanophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189370
methyl 3-[4-[(2,6-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189320
methyl 3-[2-[3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]ethynyl]benzoate
CID 46569344
N-(1H-indazol-6-yl)-5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110684595
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate (CID 110684590) is methyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)C2CC(=O)N(c3cccnc3)C2)c1.
What is the InChIKey of methyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate?
The InChIKey is OFNXWULBWXHLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-25-18(24)12-4-2-5-14(8-12)20-17(23)13-9-16(22)21(11-13)15-6-3-7-19-10-15/h2-8,10,13H,9,11H2,1H3,(H,20,23).
What are the key properties of methyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate?
methyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate has a molecular weight of 339.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 110684590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).