1-cyclohexyl-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione

C24H28N4O3 — CID 3148853

IUPAC1-cyclohexyl-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C24H28N4O3/c29-21-24(12-6-18-8-14-25-15-9-18,13-7-19-10-16-26-17-11-19)22(30)28(23(31)27-21)20-4-2-1-3-5-20/h8-11,14-17,20H,1-7,12-13H2,(H,27,29,31)
InChIKeyHZDLSYSDWNHYTF-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.44
Rot. Bonds7

About 1-cyclohexyl-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione

1-cyclohexyl-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 3148853) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-cyclohexyl-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
PubChem CID3148853
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-cyclohexyl-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C24H28N4O3/c29-21-24(12-6-18-8-14-25-15-9-18,13-7-19-10-16-26-17-11-19)22(30)28(23(31)27-21)20-4-2-1-3-5-20/h8-11,14-17,20H,1-7,12-13H2,(H,27,29,31)
InChIKeyHZDLSYSDWNHYTF-UHFFFAOYSA-N
XLogP3.44
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione (CID 3148853) is 1-cyclohexyl-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is HZDLSYSDWNHYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-21-24(12-6-18-8-14-25-15-9-18,13-7-19-10-16-26-17-11-19)22(30)28(23(31)27-21)20-4-2-1-3-5-20/h8-11,14-17,20H,1-7,12-13H2,(H,27,29,31).
What are the key properties of 1-cyclohexyl-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 420.51 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3148853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).