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'}

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Related Compounds

4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
8-[4-[(3-hydroxy-5-oxo-1-phenyl-2H-pyrrole-4-carbonyl)amino]phenoxy]octanoic acid
CID 54682796
1-(2-phenoxyethyl)piperazine-2,6-dione
CID 66062056
(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996
N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide
CID 110604617
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
8-[4-[[3-hydroxy-1-(3-methoxycarbonylphenyl)-5-oxo-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoic acid
CID 54731756
(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
CID 8797715
1-methyl-5-oxo-N,3-diphenyl-2H-pyrrole-4-carboxamide
CID 176646767
N-[3-(3-methoxypropoxy)phenyl]benzamide
CID 86997539
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705

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).