6-(4-fluorophenyl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one

C17H13F4N3O3 — CID 4106261

IUPAC6-(4-fluorophenyl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESO=C1NC(c2ccc(F)cc2)C(C(=O)c2cccnc2)C(O)(C(F)(F)F)N1
InChIInChI=1S/C17H13F4N3O3/c18-11-5-3-9(4-6-11)13-12(14(25)10-2-1-7-22-8-10)16(27,17(19,20)21)24-15(26)23-13/h1-8,12-13,27H,(H2,23,24,26)
InChIKeyGSLOWCIZTMCTPD-UHFFFAOYSA-N
MW383.30 g/mol
LogP2.32
Rot. Bonds3

About 6-(4-fluorophenyl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one

6-(4-fluorophenyl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 4106261) has the molecular formula C17H13F4N3O3 and a molecular weight of 383.30 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID4106261
Molecular FormulaC17H13F4N3O3
Molecular Weight383.30 g/mol
Exact Mass383.09
IUPAC Name6-(4-fluorophenyl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESO=C1NC(c2ccc(F)cc2)C(C(=O)c2cccnc2)C(O)(C(F)(F)F)N1
InChIInChI=1S/C17H13F4N3O3/c18-11-5-3-9(4-6-11)13-12(14(25)10-2-1-7-22-8-10)16(27,17(19,20)21)24-15(26)23-13/h1-8,12-13,27H,(H2,23,24,26)
InChIKeyGSLOWCIZTMCTPD-UHFFFAOYSA-N
XLogP2.32
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-hydroxy-2-oxo-6-(3-pyridinyl)-4-(trifluoromethyl)hexahydro-5-pyrimidinecarboxylate
CID 3147788
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
6-hydroxy-1-methyl-4-(3-pyridyl)-5-(2-thenoyl)-6-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone
CID 5093465
6-Hydroxy-4-(pyridin-3-yl)-5-(2-thienylcarbonyl)-6-trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1H)-one
CID 42227871
4-hydroxy-5-(pyridin-3-ylcarbonyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
CID 2919212
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
4-hydroxy-5-(phenylcarbonyl)-6-(pyridin-4-yl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
CID 3147794
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 6-(4-fluorophenyl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 6-(4-fluorophenyl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (CID 4106261) is 6-(4-fluorophenyl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is O=C1NC(c2ccc(F)cc2)C(C(=O)c2cccnc2)C(O)(C(F)(F)F)N1.
What is the InChIKey of 6-(4-fluorophenyl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is GSLOWCIZTMCTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O3/c18-11-5-3-9(4-6-11)13-12(14(25)10-2-1-7-22-8-10)16(27,17(19,20)21)24-15(26)23-13/h1-8,12-13,27H,(H2,23,24,26).
What are the key properties of 6-(4-fluorophenyl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
6-(4-fluorophenyl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 383.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 4106261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).