4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]benzamide

C25H24F3N3O4 — CID 90456232

IUPAC4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C25H24F3N3O4/c1-16-6-7-17(23(32)29-19-4-3-5-20(14-19)35-25(26,27)28)12-21(16)18-13-22(24(33)30(2)15-18)31-8-10-34-11-9-31/h3-7,12-15H,8-11H2,1-2H3,(H,29,32)
InChIKeyHSVUXYULKURGDR-UHFFFAOYSA-N
MW487.48 g/mol
LogP4.35
Rot. Bonds5

About 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]benzamide

4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 90456232) has the molecular formula C25H24F3N3O4 and a molecular weight of 487.48 g/mol. Its IUPAC name is 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID90456232
Molecular FormulaC25H24F3N3O4
Molecular Weight487.48 g/mol
Exact Mass487.17
IUPAC Name4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C25H24F3N3O4/c1-16-6-7-17(23(32)29-19-4-3-5-20(14-19)35-25(26,27)28)12-21(16)18-13-22(24(33)30(2)15-18)31-8-10-34-11-9-31/h3-7,12-15H,8-11H2,1-2H3,(H,29,32)
InChIKeyHSVUXYULKURGDR-UHFFFAOYSA-N
XLogP4.35
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]benzamide (CID 90456232) is 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.
What is the InChIKey of 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is HSVUXYULKURGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O4/c1-16-6-7-17(23(32)29-19-4-3-5-20(14-19)35-25(26,27)28)12-21(16)18-13-22(24(33)30(2)15-18)31-8-10-34-11-9-31/h3-7,12-15H,8-11H2,1-2H3,(H,29,32).
What are the key properties of 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]benzamide?
4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 487.48 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 90456232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).