(5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione

C24H20N4O3 — CID 126399811

IUPAC(5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCC2)c2ccccc12
InChIInChI=1S/C24H20N4O3/c29-22-20(23(30)28(24(31)26-22)17-9-11-25-12-10-17)15-16-7-8-21(27-13-3-4-14-27)19-6-2-1-5-18(16)19/h1-2,5-12,15H,3-4,13-14H2,(H,26,29,31)/b20-15+
InChIKeyLUCWQMQWTYDPPM-HMMYKYKNSA-N
MW412.45 g/mol
LogP3.50
Rot. Bonds3

About (5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione

(5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 126399811) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is (5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID126399811
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name(5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCC2)c2ccccc12
InChIInChI=1S/C24H20N4O3/c29-22-20(23(30)28(24(31)26-22)17-9-11-25-12-10-17)15-16-7-8-21(27-13-3-4-14-27)19-6-2-1-5-18(16)19/h1-2,5-12,15H,3-4,13-14H2,(H,26,29,31)/b20-15+
InChIKeyLUCWQMQWTYDPPM-HMMYKYKNSA-N
XLogP3.50
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-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

(5E)-5-[(2-fluoro-4-piperidin-1-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione
CID 126401054
(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-methyl-4-morpholin-4-ylphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione
CID 126399758
5-[(4-methoxynaphthalen-1-yl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 1353396
5-[(4-methoxynaphthalen-1-yl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1353230
(5Z)-5-[(4-methoxynaphthalen-1-yl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 2201824
(5E)-5-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione
CID 126395154
(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione
CID 126398914
(5E)-5-[[1-(2,3-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione
CID 126398421
(5Z)-5-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 21233806
(5E)-5-[(2-fluoro-4-piperidin-1-ylphenyl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 2481172
(5E)-1-(4-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6148901

Frequently Asked Questions

What is the IUPAC name of (5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione (CID 126399811) is (5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCC2)c2ccccc12.
What is the InChIKey of (5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is LUCWQMQWTYDPPM-HMMYKYKNSA-N. The full InChI is InChI=1S/C24H20N4O3/c29-22-20(23(30)28(24(31)26-22)17-9-11-25-12-10-17)15-16-7-8-21(27-13-3-4-14-27)19-6-2-1-5-18(16)19/h1-2,5-12,15H,3-4,13-14H2,(H,26,29,31)/b20-15+.
What are the key properties of (5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione?
(5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 412.45 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 126399811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).