4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-carboxamide

C21H20N2O4 — CID 70538135

IUPAC4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(=O)N(CCOc2ccccc2)C(=O)C1
InChIInChI=1S/C21H20N2O4/c1-15-14-18(24)23(12-13-27-17-10-6-3-7-11-17)21(26)19(15)20(25)22-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,22,25)
InChIKeyNSPVYFSJORGESO-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.78
Rot. Bonds6

About 4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-carboxamide

4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-carboxamide (PubChem CID 70538135) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-carboxamide
PubChem CID70538135
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(=O)N(CCOc2ccccc2)C(=O)C1
InChIInChI=1S/C21H20N2O4/c1-15-14-18(24)23(12-13-27-17-10-6-3-7-11-17)21(26)19(15)20(25)22-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,22,25)
InChIKeyNSPVYFSJORGESO-UHFFFAOYSA-N
XLogP2.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-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 4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-carboxamide?
The IUPAC name of 4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-carboxamide (CID 70538135) is 4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-carboxamide.
What is the SMILES notation for 4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-carboxamide?
The canonical SMILES for 4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(=O)N(CCOc2ccccc2)C(=O)C1.
What is the InChIKey of 4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-carboxamide?
The InChIKey is NSPVYFSJORGESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-15-14-18(24)23(12-13-27-17-10-6-3-7-11-17)21(26)19(15)20(25)22-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,22,25).
What are the key properties of 4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-carboxamide?
4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-dioxo-1-(2-phenoxyethyl)-N-phenyl-3H-pyridine-5-carboxamide is sourced from PubChem (CID 70538135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).