5-[1-[3-(dimethylamino)propyl]-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione

C16H19F3N4O3 — CID 71671147

IUPAC5-[1-[3-(dimethylamino)propyl]-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione
SMILESCC1=CC(=C2C(=O)NC(=O)NC2=O)C=C(C(F)(F)F)N1CCCN(C)C
InChIInChI=1S/C16H19F3N4O3/c1-9-7-10(12-13(24)20-15(26)21-14(12)25)8-11(16(17,18)19)23(9)6-4-5-22(2)3/h7-8H,4-6H2,1-3H3,(H2,20,21,24,25,26)
InChIKeyXXNFPRQKYOQMDI-UHFFFAOYSA-N
MW372.35 g/mol
LogP1.27
Rot. Bonds4

About 5-[1-[3-(dimethylamino)propyl]-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione

5-[1-[3-(dimethylamino)propyl]-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 71671147) has the molecular formula C16H19F3N4O3 and a molecular weight of 372.35 g/mol. Its IUPAC name is 5-[1-[3-(dimethylamino)propyl]-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[1-[3-(dimethylamino)propyl]-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione
PubChem CID71671147
Molecular FormulaC16H19F3N4O3
Molecular Weight372.35 g/mol
Exact Mass372.14
IUPAC Name5-[1-[3-(dimethylamino)propyl]-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione
SMILESCC1=CC(=C2C(=O)NC(=O)NC2=O)C=C(C(F)(F)F)N1CCCN(C)C
InChIInChI=1S/C16H19F3N4O3/c1-9-7-10(12-13(24)20-15(26)21-14(12)25)8-11(16(17,18)19)23(9)6-4-5-22(2)3/h7-8H,4-6H2,1-3H3,(H2,20,21,24,25,26)
InChIKeyXXNFPRQKYOQMDI-UHFFFAOYSA-N
XLogP1.27
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(dimethylamino)propyl]-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[1-[3-(dimethylamino)propyl]-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione (CID 71671147) is 5-[1-[3-(dimethylamino)propyl]-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[1-[3-(dimethylamino)propyl]-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[1-[3-(dimethylamino)propyl]-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione is CC1=CC(=C2C(=O)NC(=O)NC2=O)C=C(C(F)(F)F)N1CCCN(C)C.
What is the InChIKey of 5-[1-[3-(dimethylamino)propyl]-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is XXNFPRQKYOQMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O3/c1-9-7-10(12-13(24)20-15(26)21-14(12)25)8-11(16(17,18)19)23(9)6-4-5-22(2)3/h7-8H,4-6H2,1-3H3,(H2,20,21,24,25,26).
What are the key properties of 5-[1-[3-(dimethylamino)propyl]-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione?
5-[1-[3-(dimethylamino)propyl]-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 372.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(dimethylamino)propyl]-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 71671147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).