5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione

C15H19N3O3 — CID 114958047

IUPAC5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(Cc2cnccc2C)C1=O
InChIInChI=1S/C15H19N3O3/c1-4-15(5-2)12(19)17-14(21)18(13(15)20)9-11-8-16-7-6-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,17,19,21)
InChIKeyFBJAUFQEOXQNMJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.77
Rot. Bonds4

About 5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione

5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 114958047) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID114958047
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(Cc2cnccc2C)C1=O
InChIInChI=1S/C15H19N3O3/c1-4-15(5-2)12(19)17-14(21)18(13(15)20)9-11-8-16-7-6-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,17,19,21)
InChIKeyFBJAUFQEOXQNMJ-UHFFFAOYSA-N
XLogP1.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione (CID 114958047) is 5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(Cc2cnccc2C)C1=O.
What is the InChIKey of 5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is FBJAUFQEOXQNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-15(5-2)12(19)17-14(21)18(13(15)20)9-11-8-16-7-6-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,17,19,21).
What are the key properties of 5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 289.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 114958047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).