6-[4-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

C25H24F3N3O3 — CID 86272127

IUPAC6-[4-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3CN3CCC[C@@H]3CO)cc2)n1
InChIInChI=1S/C25H24F3N3O3/c26-25(27,28)18-8-11-23(17(13-18)14-31-12-2-3-19(31)15-32)34-20-9-6-16(7-10-20)21-4-1-5-22(30-21)24(29)33/h1,4-11,13,19,32H,2-3,12,14-15H2,(H2,29,33)/t19-/m1/s1
InChIKeyUKQHPUKCCDUZBH-LJQANCHMSA-N
MW471.48 g/mol
LogP4.62
Rot. Bonds7

About 6-[4-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

6-[4-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (PubChem CID 86272127) has the molecular formula C25H24F3N3O3 and a molecular weight of 471.48 g/mol. Its IUPAC name is 6-[4-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
PubChem CID86272127
Molecular FormulaC25H24F3N3O3
Molecular Weight471.48 g/mol
Exact Mass471.18
IUPAC Name6-[4-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3CN3CCC[C@@H]3CO)cc2)n1
InChIInChI=1S/C25H24F3N3O3/c26-25(27,28)18-8-11-23(17(13-18)14-31-12-2-3-19(31)15-32)34-20-9-6-16(7-10-20)21-4-1-5-22(30-21)24(29)33/h1,4-11,13,19,32H,2-3,12,14-15H2,(H2,29,33)/t19-/m1/s1
InChIKeyUKQHPUKCCDUZBH-LJQANCHMSA-N
XLogP4.62
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (CID 86272127) is 6-[4-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is NC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3CN3CCC[C@@H]3CO)cc2)n1.
What is the InChIKey of 6-[4-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The InChIKey is UKQHPUKCCDUZBH-LJQANCHMSA-N. The full InChI is InChI=1S/C25H24F3N3O3/c26-25(27,28)18-8-11-23(17(13-18)14-31-12-2-3-19(31)15-32)34-20-9-6-16(7-10-20)21-4-1-5-22(30-21)24(29)33/h1,4-11,13,19,32H,2-3,12,14-15H2,(H2,29,33)/t19-/m1/s1.
What are the key properties of 6-[4-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
6-[4-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 86272127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).