1,3-dimethyl-N-naphthalen-2-yl-2,4,6-trioxo-1,3-diazinane-5-carboxamide

C17H15N3O4 — CID 134133711

IUPAC1,3-dimethyl-N-naphthalen-2-yl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
SMILESCN1C(=O)C(C(=O)Nc2ccc3ccccc3c2)C(=O)N(C)C1=O
InChIInChI=1S/C17H15N3O4/c1-19-15(22)13(16(23)20(2)17(19)24)14(21)18-12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,1-2H3,(H,18,21)
InChIKeyQVMRQJOHSHGTCV-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.44
Rot. Bonds2

About 1,3-dimethyl-N-naphthalen-2-yl-2,4,6-trioxo-1,3-diazinane-5-carboxamide

1,3-dimethyl-N-naphthalen-2-yl-2,4,6-trioxo-1,3-diazinane-5-carboxamide (PubChem CID 134133711) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 1,3-dimethyl-N-naphthalen-2-yl-2,4,6-trioxo-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-naphthalen-2-yl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
PubChem CID134133711
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name1,3-dimethyl-N-naphthalen-2-yl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
SMILESCN1C(=O)C(C(=O)Nc2ccc3ccccc3c2)C(=O)N(C)C1=O
InChIInChI=1S/C17H15N3O4/c1-19-15(22)13(16(23)20(2)17(19)24)14(21)18-12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,1-2H3,(H,18,21)
InChIKeyQVMRQJOHSHGTCV-UHFFFAOYSA-N
XLogP1.44
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.44
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

1-(4-isopropylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2267094
1-(4-Ethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2267484
1-Naphthalen-1-yl-3-(1-propylpiperidin-4-yl)urea
CID 6469170
5-{3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene}-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1360413
3-cyclohexyl-6-[(3,4-dimethylphenyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 3237829
1-(1-(Cyclooctenylmethyl)piperidin-4-yl)-3-(naphthalen-2-yl)urea
CID 9886775
3-[4-(4-Benzyl-piperazin-1-yl)-butyl]-6-(3-ethyl-4-methyl-phenylamino)-1H-pyrimidine-2,4-dione
CID 10863712
1-(Naphthalen-2-yl)-3-(1-propionylpiperidin-4-yl)urea
CID 49782795
1-Benzyl-3-naphthalen-2-yl-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711302
(5E)-5-[4-(dimethylamino)benzylidene]-1-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1325392
N-[4-[[(3,4-dimethylanilino)-oxomethyl]amino]phenyl]-N-methylacetamide
CID 311503
Piperidine-1,3-dicarboxylic acid 1-cyclohexylamide 3-[(2,3-dimethyl-phenyl)-amide]
CID 650315

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-naphthalen-2-yl-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-naphthalen-2-yl-2,4,6-trioxo-1,3-diazinane-5-carboxamide (CID 134133711) is 1,3-dimethyl-N-naphthalen-2-yl-2,4,6-trioxo-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-naphthalen-2-yl-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-naphthalen-2-yl-2,4,6-trioxo-1,3-diazinane-5-carboxamide is CN1C(=O)C(C(=O)Nc2ccc3ccccc3c2)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-N-naphthalen-2-yl-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
The InChIKey is QVMRQJOHSHGTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-19-15(22)13(16(23)20(2)17(19)24)14(21)18-12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,1-2H3,(H,18,21).
What are the key properties of 1,3-dimethyl-N-naphthalen-2-yl-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
1,3-dimethyl-N-naphthalen-2-yl-2,4,6-trioxo-1,3-diazinane-5-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-naphthalen-2-yl-2,4,6-trioxo-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 134133711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).