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

C25H25F2N3O3 — CID 90409797

IUPAC3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C25H25F2N3O3/c1-16-6-7-20(28-24(31)18-5-3-4-17(12-18)23(26)27)14-21(16)19-13-22(25(32)29(2)15-19)30-8-10-33-11-9-30/h3-7,12-15,23H,8-11H2,1-2H3,(H,28,31)
InChIKeyISYANDALIHYXTG-UHFFFAOYSA-N
MW453.49 g/mol
LogP4.39
Rot. Bonds5

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

3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide (PubChem CID 90409797) has the molecular formula C25H25F2N3O3 and a molecular weight of 453.49 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide
PubChem CID90409797
Molecular FormulaC25H25F2N3O3
Molecular Weight453.49 g/mol
Exact Mass453.19
IUPAC Name3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C25H25F2N3O3/c1-16-6-7-20(28-24(31)18-5-3-4-17(12-18)23(26)27)14-21(16)19-13-22(25(32)29(2)15-19)30-8-10-33-11-9-30/h3-7,12-15,23H,8-11H2,1-2H3,(H,28,31)
InChIKeyISYANDALIHYXTG-UHFFFAOYSA-N
XLogP4.39
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide 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 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide (CID 90409797) is 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide is Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.
What is the InChIKey of 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide?
The InChIKey is ISYANDALIHYXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O3/c1-16-6-7-20(28-24(31)18-5-3-4-17(12-18)23(26)27)14-21(16)19-13-22(25(32)29(2)15-19)30-8-10-33-11-9-30/h3-7,12-15,23H,8-11H2,1-2H3,(H,28,31).
What are the key properties of 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide?
3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide has a molecular weight of 453.49 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide is sourced from PubChem (CID 90409797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).