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

C17H14F3N3O4 — CID 2921973

IUPAC4-hydroxy-6-(3-hydroxyphenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESO=C1NC(c2cccc(O)c2)C(C(=O)c2cccnc2)C(O)(C(F)(F)F)N1
InChIInChI=1S/C17H14F3N3O4/c18-17(19,20)16(27)12(14(25)10-4-2-6-21-8-10)13(22-15(26)23-16)9-3-1-5-11(24)7-9/h1-8,12-13,24,27H,(H2,22,23,26)
InChIKeyIKZIMWGLKBWNBI-UHFFFAOYSA-N
MW381.31 g/mol
LogP1.89
Rot. Bonds3

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

4-hydroxy-6-(3-hydroxyphenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 2921973) has the molecular formula C17H14F3N3O4 and a molecular weight of 381.31 g/mol. Its IUPAC name is 4-hydroxy-6-(3-hydroxyphenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(3-hydroxyphenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID2921973
Molecular FormulaC17H14F3N3O4
Molecular Weight381.31 g/mol
Exact Mass381.09
IUPAC Name4-hydroxy-6-(3-hydroxyphenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESO=C1NC(c2cccc(O)c2)C(C(=O)c2cccnc2)C(O)(C(F)(F)F)N1
InChIInChI=1S/C17H14F3N3O4/c18-17(19,20)16(27)12(14(25)10-4-2-6-21-8-10)13(22-15(26)23-16)9-3-1-5-11(24)7-9/h1-8,12-13,24,27H,(H2,22,23,26)
InChIKeyIKZIMWGLKBWNBI-UHFFFAOYSA-N
XLogP1.89
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-6-(3-hydroxyphenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(3-hydroxyphenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 4-hydroxy-6-(3-hydroxyphenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (CID 2921973) is 4-hydroxy-6-(3-hydroxyphenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 4-hydroxy-6-(3-hydroxyphenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 4-hydroxy-6-(3-hydroxyphenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is O=C1NC(c2cccc(O)c2)C(C(=O)c2cccnc2)C(O)(C(F)(F)F)N1.
What is the InChIKey of 4-hydroxy-6-(3-hydroxyphenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is IKZIMWGLKBWNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O4/c18-17(19,20)16(27)12(14(25)10-4-2-6-21-8-10)13(22-15(26)23-16)9-3-1-5-11(24)7-9/h1-8,12-13,24,27H,(H2,22,23,26).
What are the key properties of 4-hydroxy-6-(3-hydroxyphenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
4-hydroxy-6-(3-hydroxyphenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 381.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(3-hydroxyphenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 2921973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).