N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide

C24H22F3N3O2 — CID 86298094

IUPACN-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C24H22F3N3O2/c1-16-5-6-19(29-23(31)17-3-2-4-18(13-17)24(25,26)27)14-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)
InChIKeyIQQLLSYZIGEGPW-UHFFFAOYSA-N
MW441.45 g/mol
LogP5.16
Rot. Bonds4

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

N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 86298094) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID86298094
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC NameN-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C24H22F3N3O2/c1-16-5-6-19(29-23(31)17-3-2-4-18(13-17)24(25,26)27)14-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)
InChIKeyIQQLLSYZIGEGPW-UHFFFAOYSA-N
XLogP5.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)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 N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide (CID 86298094) is N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)ccn1.
What is the InChIKey of N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is IQQLLSYZIGEGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-16-5-6-19(29-23(31)17-3-2-4-18(13-17)24(25,26)27)14-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31).
What are the key properties of N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 441.45 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 86298094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).