(5E)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione

C21H20N4O4 — CID 126399758

IUPAC(5E)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione
SMILESCc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)ccc1N1CCOCC1
InChIInChI=1S/C21H20N4O4/c1-14-12-15(2-3-18(14)24-8-10-29-11-9-24)13-17-19(26)23-21(28)25(20(17)27)16-4-6-22-7-5-16/h2-7,12-13H,8-11H2,1H3,(H,23,26,28)/b17-13+
InChIKeyLCALEKOVXVEQOR-GHRIWEEISA-N
MW392.42 g/mol
LogP1.89
Rot. Bonds3

About (5E)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione

(5E)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione (PubChem CID 126399758) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is (5E)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5E)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione
PubChem CID126399758
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name(5E)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione
SMILESCc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)ccc1N1CCOCC1
InChIInChI=1S/C21H20N4O4/c1-14-12-15(2-3-18(14)24-8-10-29-11-9-24)13-17-19(26)23-21(28)25(20(17)27)16-4-6-22-7-5-16/h2-7,12-13H,8-11H2,1H3,(H,23,26,28)/b17-13+
InChIKeyLCALEKOVXVEQOR-GHRIWEEISA-N
XLogP1.89
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (5E)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione 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

1-(3,4-dimethylphenyl)-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 3298178
(5E)-1-(2-chlorophenyl)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126244779
(5E)-1-(3-chloro-2-methylphenyl)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126112392
(5E)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione
CID 126394073
1-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 782506
(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione
CID 2292518
(5Z)-1-(2-methoxyphenyl)-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6229481
(5E)-1-(3,4-dimethylphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126114509
(5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126399811
(5E)-1-(4-bromo-2-methylphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126104937
(5E)-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione
CID 126401065
(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 21378127

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5E)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione (CID 126399758) is (5E)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5E)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5E)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione is Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)ccc1N1CCOCC1.
What is the InChIKey of (5E)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is LCALEKOVXVEQOR-GHRIWEEISA-N. The full InChI is InChI=1S/C21H20N4O4/c1-14-12-15(2-3-18(14)24-8-10-29-11-9-24)13-17-19(26)23-21(28)25(20(17)27)16-4-6-22-7-5-16/h2-7,12-13H,8-11H2,1H3,(H,23,26,28)/b17-13+.
What are the key properties of (5E)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione?
(5E)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 392.42 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 126399758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).