N-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide

C23H18ClN3O3 — CID 46869952

IUPACN-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide
SMILESCC1(c2ccccc2)CC(=O)N(c2ccc(NC(=O)c3ccccn3)cc2Cl)C1=O
InChIInChI=1S/C23H18ClN3O3/c1-23(15-7-3-2-4-8-15)14-20(28)27(22(23)30)19-11-10-16(13-17(19)24)26-21(29)18-9-5-6-12-25-18/h2-13H,14H2,1H3,(H,26,29)
InChIKeyVVBFAZRDUJRAAU-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.21
Rot. Bonds4

About N-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide

N-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide (PubChem CID 46869952) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide
PubChem CID46869952
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC NameN-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide
SMILESCC1(c2ccccc2)CC(=O)N(c2ccc(NC(=O)c3ccccn3)cc2Cl)C1=O
InChIInChI=1S/C23H18ClN3O3/c1-23(15-7-3-2-4-8-15)14-20(28)27(22(23)30)19-11-10-16(13-17(19)24)26-21(29)18-9-5-6-12-25-18/h2-13H,14H2,1H3,(H,26,29)
InChIKeyVVBFAZRDUJRAAU-UHFFFAOYSA-N
XLogP4.21
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-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-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide (CID 46869952) is N-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide is CC1(c2ccccc2)CC(=O)N(c2ccc(NC(=O)c3ccccn3)cc2Cl)C1=O.
What is the InChIKey of N-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is VVBFAZRDUJRAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-23(15-7-3-2-4-8-15)14-20(28)27(22(23)30)19-11-10-16(13-17(19)24)26-21(29)18-9-5-6-12-25-18/h2-13H,14H2,1H3,(H,26,29).
What are the key properties of N-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide?
N-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 419.87 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 46869952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).