3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

C28H29F3N4O3 — CID 86298095

IUPAC3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C28H29F3N4O3/c1-19-5-6-20(27(36)32-23-4-2-3-22(18-23)28(29,30)31)15-24(19)21-16-25(34-7-11-37-12-8-34)33-26(17-21)35-9-13-38-14-10-35/h2-6,15-18H,7-14H2,1H3,(H,32,36)
InChIKeyXIEGUNPXGANEIU-UHFFFAOYSA-N
MW526.56 g/mol
LogP5.00
Rot. Bonds5

About 3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 86298095) has the molecular formula C28H29F3N4O3 and a molecular weight of 526.56 g/mol. Its IUPAC name is 3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID86298095
Molecular FormulaC28H29F3N4O3
Molecular Weight526.56 g/mol
Exact Mass526.22
IUPAC Name3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C28H29F3N4O3/c1-19-5-6-20(27(36)32-23-4-2-3-22(18-23)28(29,30)31)15-24(19)21-16-25(34-7-11-37-12-8-34)33-26(17-21)35-9-13-38-14-10-35/h2-6,15-18H,7-14H2,1H3,(H,32,36)
InChIKeyXIEGUNPXGANEIU-UHFFFAOYSA-N
XLogP5.00
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.56
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methyl-N-[3-(trifluoromethyl)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-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 86298095) is 3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.
What is the InChIKey of 3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XIEGUNPXGANEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O3/c1-19-5-6-20(27(36)32-23-4-2-3-22(18-23)28(29,30)31)15-24(19)21-16-25(34-7-11-37-12-8-34)33-26(17-21)35-9-13-38-14-10-35/h2-6,15-18H,7-14H2,1H3,(H,32,36).
What are the key properties of 3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 526.56 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 86298095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).