5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione

C19H23N3O4 — CID 144688684

IUPAC5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione
SMILESCC/C=C(\CC)C1(C)C(=O)N(C)C(=O)N(CC(=O)c2cccnc2)C1=O
InChIInChI=1S/C19H23N3O4/c1-5-8-14(6-2)19(3)16(24)21(4)18(26)22(17(19)25)12-15(23)13-9-7-10-20-11-13/h7-11H,5-6,12H2,1-4H3/b14-8+
InChIKeyASFYSTYDXVENNR-RIYZIHGNSA-N
MW357.41 g/mol
LogP2.44
Rot. Bonds6

About 5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione

5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 144688684) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione
PubChem CID144688684
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione
SMILESCC/C=C(\CC)C1(C)C(=O)N(C)C(=O)N(CC(=O)c2cccnc2)C1=O
InChIInChI=1S/C19H23N3O4/c1-5-8-14(6-2)19(3)16(24)21(4)18(26)22(17(19)25)12-15(23)13-9-7-10-20-11-13/h7-11H,5-6,12H2,1-4H3/b14-8+
InChIKeyASFYSTYDXVENNR-RIYZIHGNSA-N
XLogP2.44
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione (CID 144688684) is 5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione is CC/C=C(\CC)C1(C)C(=O)N(C)C(=O)N(CC(=O)c2cccnc2)C1=O.
What is the InChIKey of 5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is ASFYSTYDXVENNR-RIYZIHGNSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-5-8-14(6-2)19(3)16(24)21(4)18(26)22(17(19)25)12-15(23)13-9-7-10-20-11-13/h7-11H,5-6,12H2,1-4H3/b14-8+.
What are the key properties of 5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione?
5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 357.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 144688684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).