N-methyl-2-[[5-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide

C23H23F3N4O4 — CID 90667118

IUPACN-methyl-2-[[5-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2cc(OC)c(OC)c(OC)c2)ncc1C(F)(F)F
InChIInChI=1S/C23H23F3N4O4/c1-27-22(31)14-7-5-6-8-16(14)30-17-11-20(28-12-15(17)23(24,25)26)29-13-9-18(32-2)21(34-4)19(10-13)33-3/h5-12H,1-4H3,(H,27,31)(H2,28,29,30)
InChIKeyHREADOGAJJODRT-UHFFFAOYSA-N
MW476.46 g/mol
LogP4.97
Rot. Bonds8

About N-methyl-2-[[5-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide

N-methyl-2-[[5-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide (PubChem CID 90667118) has the molecular formula C23H23F3N4O4 and a molecular weight of 476.46 g/mol. Its IUPAC name is N-methyl-2-[[5-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[5-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide
PubChem CID90667118
Molecular FormulaC23H23F3N4O4
Molecular Weight476.46 g/mol
Exact Mass476.17
IUPAC NameN-methyl-2-[[5-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2cc(OC)c(OC)c(OC)c2)ncc1C(F)(F)F
InChIInChI=1S/C23H23F3N4O4/c1-27-22(31)14-7-5-6-8-16(14)30-17-11-20(28-12-15(17)23(24,25)26)29-13-9-18(32-2)21(34-4)19(10-13)33-3/h5-12H,1-4H3,(H,27,31)(H2,28,29,30)
InChIKeyHREADOGAJJODRT-UHFFFAOYSA-N
XLogP4.97
TPSA93.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[5-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide?
The IUPAC name of N-methyl-2-[[5-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide (CID 90667118) is N-methyl-2-[[5-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for N-methyl-2-[[5-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide?
The canonical SMILES for N-methyl-2-[[5-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide is CNC(=O)c1ccccc1Nc1cc(Nc2cc(OC)c(OC)c(OC)c2)ncc1C(F)(F)F.
What is the InChIKey of N-methyl-2-[[5-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide?
The InChIKey is HREADOGAJJODRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O4/c1-27-22(31)14-7-5-6-8-16(14)30-17-11-20(28-12-15(17)23(24,25)26)29-13-9-18(32-2)21(34-4)19(10-13)33-3/h5-12H,1-4H3,(H,27,31)(H2,28,29,30).
What are the key properties of N-methyl-2-[[5-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide?
N-methyl-2-[[5-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide has a molecular weight of 476.46 g/mol, XLogP of 4.97, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[5-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 90667118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).