6-[4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

C24H22F3N3O3 — CID 86272128

IUPAC6-[4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3CN3CCOCC3)cc2)n1
InChIInChI=1S/C24H22F3N3O3/c25-24(26,27)18-6-9-22(17(14-18)15-30-10-12-32-13-11-30)33-19-7-4-16(5-8-19)20-2-1-3-21(29-20)23(28)31/h1-9,14H,10-13,15H2,(H2,28,31)
InChIKeyQPMHZZFOKXFQDE-UHFFFAOYSA-N
MW457.45 g/mol
LogP4.49
Rot. Bonds6

About 6-[4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

6-[4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (PubChem CID 86272128) has the molecular formula C24H22F3N3O3 and a molecular weight of 457.45 g/mol. Its IUPAC name is 6-[4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
PubChem CID86272128
Molecular FormulaC24H22F3N3O3
Molecular Weight457.45 g/mol
Exact Mass457.16
IUPAC Name6-[4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3CN3CCOCC3)cc2)n1
InChIInChI=1S/C24H22F3N3O3/c25-24(26,27)18-6-9-22(17(14-18)15-30-10-12-32-13-11-30)33-19-7-4-16(5-8-19)20-2-1-3-21(29-20)23(28)31/h1-9,14H,10-13,15H2,(H2,28,31)
InChIKeyQPMHZZFOKXFQDE-UHFFFAOYSA-N
XLogP4.49
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (CID 86272128) is 6-[4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is NC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3CN3CCOCC3)cc2)n1.
What is the InChIKey of 6-[4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The InChIKey is QPMHZZFOKXFQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O3/c25-24(26,27)18-6-9-22(17(14-18)15-30-10-12-32-13-11-30)33-19-7-4-16(5-8-19)20-2-1-3-21(29-20)23(28)31/h1-9,14H,10-13,15H2,(H2,28,31).
What are the key properties of 6-[4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
6-[4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide has a molecular weight of 457.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 86272128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).