5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C18H19N5O6 — CID 11143862

IUPAC5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(C(c2cccnc2)C2C(=O)N(C)C(=O)N(C)C2=O)C(=O)N(C)C1=O
InChIInChI=1S/C18H19N5O6/c1-20-13(24)11(14(25)21(2)17(20)28)10(9-6-5-7-19-8-9)12-15(26)22(3)18(29)23(4)16(12)27/h5-8,10-12H,1-4H3
InChIKeyXIOBILWRJHIDJV-UHFFFAOYSA-N
MW401.38 g/mol
LogP-0.50
Rot. Bonds3

About 5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 11143862) has the molecular formula C18H19N5O6 and a molecular weight of 401.38 g/mol. Its IUPAC name is 5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID11143862
Molecular FormulaC18H19N5O6
Molecular Weight401.38 g/mol
Exact Mass401.13
IUPAC Name5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(C(c2cccnc2)C2C(=O)N(C)C(=O)N(C)C2=O)C(=O)N(C)C1=O
InChIInChI=1S/C18H19N5O6/c1-20-13(24)11(14(25)21(2)17(20)28)10(9-6-5-7-19-8-9)12-15(26)22(3)18(29)23(4)16(12)27/h5-8,10-12H,1-4H3
InChIKeyXIOBILWRJHIDJV-UHFFFAOYSA-N
XLogP-0.50
TPSA128.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione with MolForge

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Related Compounds

2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-pyridin-3-ylmethyl]-5,5-dimethylcyclohexane-1,3-dione
CID 632765
1-butyl-5-[(1-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-diazinane-2,4,6-trione
CID 10939426
5-[(1-benzyl-4,5-dimethyl-3-oxidoimidazol-3-ium-2-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 121239054
1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358036
(5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione
CID 6991444
5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione
CID 2847274
[methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium
CID 6379405
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
3-[(1S)-1-chloroethyl]pyridine;hydrochloride
CID 171991541
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 11143862) is 5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(C(c2cccnc2)C2C(=O)N(C)C(=O)N(C)C2=O)C(=O)N(C)C1=O.
What is the InChIKey of 5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is XIOBILWRJHIDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O6/c1-20-13(24)11(14(25)21(2)17(20)28)10(9-6-5-7-19-8-9)12-15(26)22(3)18(29)23(4)16(12)27/h5-8,10-12H,1-4H3.
What are the key properties of 5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 401.38 g/mol, XLogP of -0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 11143862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).