N-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C24H24F3N5O2 — CID 25071600

IUPACN-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/C24H24F3N5O2/c1-28-23(33)18-4-2-3-5-20(18)31-21-14-22(29-15-19(21)24(25,26)27)30-16-6-8-17(9-7-16)32-10-12-34-13-11-32/h2-9,14-15H,10-13H2,1H3,(H,28,33)(H2,29,30,31)
InChIKeyVELUXFAMSJIQFI-UHFFFAOYSA-N
MW471.48 g/mol
LogP4.78
Rot. Bonds6

About N-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

N-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 25071600) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID25071600
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC NameN-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/C24H24F3N5O2/c1-28-23(33)18-4-2-3-5-20(18)31-21-14-22(29-15-19(21)24(25,26)27)30-16-6-8-17(9-7-16)32-10-12-34-13-11-32/h2-9,14-15H,10-13H2,1H3,(H,28,33)(H2,29,30,31)
InChIKeyVELUXFAMSJIQFI-UHFFFAOYSA-N
XLogP4.78
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of N-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 25071600) is N-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for N-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for N-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2)ncc1C(F)(F)F.
What is the InChIKey of N-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is VELUXFAMSJIQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-28-23(33)18-4-2-3-5-20(18)31-21-14-22(29-15-19(21)24(25,26)27)30-16-6-8-17(9-7-16)32-10-12-34-13-11-32/h2-9,14-15H,10-13H2,1H3,(H,28,33)(H2,29,30,31).
What are the key properties of N-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
N-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 471.48 g/mol, XLogP of 4.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 25071600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).