2-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide

C25H24F3N3O3 — CID 66918854

IUPAC2-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1c(C(=O)Nc2ccc(N3CCOC(C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H24F3N3O3/c1-16-15-31(12-13-33-16)23-11-8-19(14-29-23)30-24(32)22-5-3-4-21(17(22)2)18-6-9-20(10-7-18)34-25(26,27)28/h3-11,14,16H,12-13,15H2,1-2H3,(H,30,32)
InChIKeyJWDSXWIGFNFYTQ-UHFFFAOYSA-N
MW471.48 g/mol
LogP5.43
Rot. Bonds5

About 2-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide

2-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 66918854) has the molecular formula C25H24F3N3O3 and a molecular weight of 471.48 g/mol. Its IUPAC name is 2-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID66918854
Molecular FormulaC25H24F3N3O3
Molecular Weight471.48 g/mol
Exact Mass471.18
IUPAC Name2-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1c(C(=O)Nc2ccc(N3CCOC(C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H24F3N3O3/c1-16-15-31(12-13-33-16)23-11-8-19(14-29-23)30-24(32)22-5-3-4-21(17(22)2)18-6-9-20(10-7-18)34-25(26,27)28/h3-11,14,16H,12-13,15H2,1-2H3,(H,30,32)
InChIKeyJWDSXWIGFNFYTQ-UHFFFAOYSA-N
XLogP5.43
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide (CID 66918854) is 2-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide is Cc1c(C(=O)Nc2ccc(N3CCOC(C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is JWDSXWIGFNFYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O3/c1-16-15-31(12-13-33-16)23-11-8-19(14-29-23)30-24(32)22-5-3-4-21(17(22)2)18-6-9-20(10-7-18)34-25(26,27)28/h3-11,14,16H,12-13,15H2,1-2H3,(H,30,32).
What are the key properties of 2-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide?
2-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 471.48 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 66918854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).