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

C26H26F3N3O3 — CID 66895460

IUPACN-[6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1c(C(=O)Nc2ccc(N3CCOCC3(C)C)nc2)cccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H26F3N3O3/c1-17-21(18-7-10-20(11-8-18)35-26(27,28)29)5-4-6-22(17)24(33)31-19-9-12-23(30-15-19)32-13-14-34-16-25(32,2)3/h4-12,15H,13-14,16H2,1-3H3,(H,31,33)
InChIKeyXGFXPGUVHPCZKZ-UHFFFAOYSA-N
MW485.51 g/mol
LogP5.82
Rot. Bonds5

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

N-[6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 66895460) has the molecular formula C26H26F3N3O3 and a molecular weight of 485.51 g/mol. Its IUPAC name is N-[6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound NameN-[6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID66895460
Molecular FormulaC26H26F3N3O3
Molecular Weight485.51 g/mol
Exact Mass485.19
IUPAC NameN-[6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1c(C(=O)Nc2ccc(N3CCOCC3(C)C)nc2)cccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H26F3N3O3/c1-17-21(18-7-10-20(11-8-18)35-26(27,28)29)5-4-6-22(17)24(33)31-19-9-12-23(30-15-19)32-13-14-34-16-25(32,2)3/h4-12,15H,13-14,16H2,1-3H3,(H,31,33)
InChIKeyXGFXPGUVHPCZKZ-UHFFFAOYSA-N
XLogP5.82
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of N-[6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide (CID 66895460) is N-[6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for N-[6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for N-[6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide is Cc1c(C(=O)Nc2ccc(N3CCOCC3(C)C)nc2)cccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is XGFXPGUVHPCZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O3/c1-17-21(18-7-10-20(11-8-18)35-26(27,28)29)5-4-6-22(17)24(33)31-19-9-12-23(30-15-19)32-13-14-34-16-25(32,2)3/h4-12,15H,13-14,16H2,1-3H3,(H,31,33).
What are the key properties of N-[6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide?
N-[6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 485.51 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 66895460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).