4-(4-fluorophenyl)-5-[2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]ethoxy]pyridine-2-carboxamide

C21H18F4N4O2 — CID 122539598

IUPAC4-(4-fluorophenyl)-5-[2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]ethoxy]pyridine-2-carboxamide
SMILESCN(CCOc1cnc(C(N)=O)cc1-c1ccc(F)cc1)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C21H18F4N4O2/c1-29(15-6-7-27-19(10-15)21(23,24)25)8-9-31-18-12-28-17(20(26)30)11-16(18)13-2-4-14(22)5-3-13/h2-7,10-12H,8-9H2,1H3,(H2,26,30)
InChIKeyJMJLYDYFVPUUGF-UHFFFAOYSA-N
MW434.39 g/mol
LogP3.92
Rot. Bonds7

About 4-(4-fluorophenyl)-5-[2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]ethoxy]pyridine-2-carboxamide

4-(4-fluorophenyl)-5-[2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]ethoxy]pyridine-2-carboxamide (PubChem CID 122539598) has the molecular formula C21H18F4N4O2 and a molecular weight of 434.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]ethoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]ethoxy]pyridine-2-carboxamide
PubChem CID122539598
Molecular FormulaC21H18F4N4O2
Molecular Weight434.39 g/mol
Exact Mass434.14
IUPAC Name4-(4-fluorophenyl)-5-[2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]ethoxy]pyridine-2-carboxamide
SMILESCN(CCOc1cnc(C(N)=O)cc1-c1ccc(F)cc1)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C21H18F4N4O2/c1-29(15-6-7-27-19(10-15)21(23,24)25)8-9-31-18-12-28-17(20(26)30)11-16(18)13-2-4-14(22)5-3-13/h2-7,10-12H,8-9H2,1H3,(H2,26,30)
InChIKeyJMJLYDYFVPUUGF-UHFFFAOYSA-N
XLogP3.92
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]ethoxy]pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-[2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]ethoxy]pyridine-2-carboxamide (CID 122539598) is 4-(4-fluorophenyl)-5-[2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]ethoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]ethoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-[2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]ethoxy]pyridine-2-carboxamide is CN(CCOc1cnc(C(N)=O)cc1-c1ccc(F)cc1)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]ethoxy]pyridine-2-carboxamide?
The InChIKey is JMJLYDYFVPUUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N4O2/c1-29(15-6-7-27-19(10-15)21(23,24)25)8-9-31-18-12-28-17(20(26)30)11-16(18)13-2-4-14(22)5-3-13/h2-7,10-12H,8-9H2,1H3,(H2,26,30).
What are the key properties of 4-(4-fluorophenyl)-5-[2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]ethoxy]pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-[2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]ethoxy]pyridine-2-carboxamide has a molecular weight of 434.39 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]ethoxy]pyridine-2-carboxamide is sourced from PubChem (CID 122539598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).