6-(2-fluorophenyl)-N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C26H24F4N4O4 — CID 90458705

IUPAC6-(2-fluorophenyl)-N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCC(C(=O)Nc1cc(NC(=O)c2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C26H24F4N4O4/c1-16(34-10-12-37-13-11-34)24(35)33-22-14-18(7-9-23(22)38-26(28,29)30)32-25(36)17-6-8-21(31-15-17)19-4-2-3-5-20(19)27/h2-9,14-16H,10-13H2,1H3,(H,32,36)(H,33,35)
InChIKeyXFZOXFOCQJSZKQ-UHFFFAOYSA-N
MW532.49 g/mol
LogP4.70
Rot. Bonds7

About 6-(2-fluorophenyl)-N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-(2-fluorophenyl)-N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 90458705) has the molecular formula C26H24F4N4O4 and a molecular weight of 532.49 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID90458705
Molecular FormulaC26H24F4N4O4
Molecular Weight532.49 g/mol
Exact Mass532.17
IUPAC Name6-(2-fluorophenyl)-N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCC(C(=O)Nc1cc(NC(=O)c2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C26H24F4N4O4/c1-16(34-10-12-37-13-11-34)24(35)33-22-14-18(7-9-23(22)38-26(28,29)30)32-25(36)17-6-8-21(31-15-17)19-4-2-3-5-20(19)27/h2-9,14-16H,10-13H2,1H3,(H,32,36)(H,33,35)
InChIKeyXFZOXFOCQJSZKQ-UHFFFAOYSA-N
XLogP4.70
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.49
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 90458705) is 6-(2-fluorophenyl)-N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is CC(C(=O)Nc1cc(NC(=O)c2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F)N1CCOCC1.
What is the InChIKey of 6-(2-fluorophenyl)-N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is XFZOXFOCQJSZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N4O4/c1-16(34-10-12-37-13-11-34)24(35)33-22-14-18(7-9-23(22)38-26(28,29)30)32-25(36)17-6-8-21(31-15-17)19-4-2-3-5-20(19)27/h2-9,14-16H,10-13H2,1H3,(H,32,36)(H,33,35).
What are the key properties of 6-(2-fluorophenyl)-N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-(2-fluorophenyl)-N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 532.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 90458705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).