5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione

C14H17N3O3 — CID 115946533

IUPAC5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(Cc2cccnc2)C1=O
InChIInChI=1S/C14H17N3O3/c1-3-14(4-2)11(18)16-13(20)17(12(14)19)9-10-6-5-7-15-8-10/h5-8H,3-4,9H2,1-2H3,(H,16,18,20)
InChIKeyXYPMMGUAJSPCQZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.47
Rot. Bonds4

About 5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione

5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 115946533) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione
PubChem CID115946533
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(Cc2cccnc2)C1=O
InChIInChI=1S/C14H17N3O3/c1-3-14(4-2)11(18)16-13(20)17(12(14)19)9-10-6-5-7-15-8-10/h5-8H,3-4,9H2,1-2H3,(H,16,18,20)
InChIKeyXYPMMGUAJSPCQZ-UHFFFAOYSA-N
XLogP1.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.47
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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Related Compounds

5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione
CID 114958047
1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946288
6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64900851
3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione
CID 66069619
5,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 106006297
3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901571
3,3-diethyl-1-pyridin-3-ylazetidine-2,4-dione
CID 44626811
1-(pyridin-3-ylmethyl)pyrimidin-2-one
CID 115590423
1-[(3-bromothiophen-2-yl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115948841
3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one
CID 121361922
3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901097
1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 106901068

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione (CID 115946533) is 5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(Cc2cccnc2)C1=O.
What is the InChIKey of 5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is XYPMMGUAJSPCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-14(4-2)11(18)16-13(20)17(12(14)19)9-10-6-5-7-15-8-10/h5-8H,3-4,9H2,1-2H3,(H,16,18,20).
What are the key properties of 5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 275.31 g/mol, XLogP of 1.47, 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-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115946533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).