5-benzoyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one

C17H14F3N3O3 — CID 3147794

IUPAC5-benzoyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESO=C1NC(c2ccncc2)C(C(=O)c2ccccc2)C(O)(C(F)(F)F)N1
InChIInChI=1S/C17H14F3N3O3/c18-17(19,20)16(26)12(14(24)11-4-2-1-3-5-11)13(22-15(25)23-16)10-6-8-21-9-7-10/h1-9,12-13,26H,(H2,22,23,25)
InChIKeyLOIPLWAYKJCXIZ-UHFFFAOYSA-N
MW365.31 g/mol
LogP2.19
Rot. Bonds3

About 5-benzoyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one

5-benzoyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 3147794) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is 5-benzoyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-benzoyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID3147794
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name5-benzoyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESO=C1NC(c2ccncc2)C(C(=O)c2ccccc2)C(O)(C(F)(F)F)N1
InChIInChI=1S/C17H14F3N3O3/c18-17(19,20)16(26)12(14(24)11-4-2-1-3-5-11)13(22-15(25)23-16)10-6-8-21-9-7-10/h1-9,12-13,26H,(H2,22,23,25)
InChIKeyLOIPLWAYKJCXIZ-UHFFFAOYSA-N
XLogP2.19
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-6-pyridin-4-yl-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 2918010
Ethyl 4-hydroxy-2-oxo-6-(3-pyridinyl)-4-(trifluoromethyl)hexahydro-5-pyrimidinecarboxylate
CID 3147788
5-acetyl-4-hydroxy-6-(quinolin-6-yl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
CID 3240753
4-Hydroxy-6-pyridin-3-yl-5-(thiophene-2-carbonyl)-4-trifluoromethyl-tetrahydro-pyrimidin-2-one
CID 646034
5-acetyl-4-hydroxy-6-(pyridin-4-yl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
CID 3236877
6-[4-(Diethylamino)phenyl]-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 2920555
3-(Isonicotinoylamino)-3-phenylpropanoic acid
CID 3456636
6-Hydroxy-4-(pyridin-3-yl)-5-(2-thienylcarbonyl)-6-trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1H)-one
CID 42227871
4-Hydroxy-6-(3-nitrophenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 2919370
4-hydroxy-6-(3-hydroxyphenyl)-5-(3-pyridinylcarbonyl)-4-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone
CID 2921973
5-Benzoyl-4-hydroxy-6-pyridin-3-yl-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 3147795
4-Hydroxy-6-(2-nitrophenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 3302325

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 5-benzoyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one (CID 3147794) is 5-benzoyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-benzoyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 5-benzoyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one is O=C1NC(c2ccncc2)C(C(=O)c2ccccc2)C(O)(C(F)(F)F)N1.
What is the InChIKey of 5-benzoyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is LOIPLWAYKJCXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c18-17(19,20)16(26)12(14(24)11-4-2-1-3-5-11)13(22-15(25)23-16)10-6-8-21-9-7-10/h1-9,12-13,26H,(H2,22,23,25).
What are the key properties of 5-benzoyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one?
5-benzoyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 365.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-4-hydroxy-6-pyridin-4-yl-4-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 3147794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).