6-[(1S)-1,2-dihydroxyethyl]-4-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide

C21H17F3N2O5 — CID 66801760

IUPAC6-[(1S)-1,2-dihydroxyethyl]-4-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)cc([C@H](O)CO)n1
InChIInChI=1S/C21H17F3N2O5/c22-21(23,24)31-16-3-1-2-15(10-16)30-14-6-4-12(5-7-14)13-8-17(19(28)11-27)26-18(9-13)20(25)29/h1-10,19,27-28H,11H2,(H2,25,29)/t19-/m1/s1
InChIKeyTZBIVDGZIQBEFX-LJQANCHMSA-N
MW434.37 g/mol
LogP3.56
Rot. Bonds7

About 6-[(1S)-1,2-dihydroxyethyl]-4-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide

6-[(1S)-1,2-dihydroxyethyl]-4-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide (PubChem CID 66801760) has the molecular formula C21H17F3N2O5 and a molecular weight of 434.37 g/mol. Its IUPAC name is 6-[(1S)-1,2-dihydroxyethyl]-4-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(1S)-1,2-dihydroxyethyl]-4-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide
PubChem CID66801760
Molecular FormulaC21H17F3N2O5
Molecular Weight434.37 g/mol
Exact Mass434.11
IUPAC Name6-[(1S)-1,2-dihydroxyethyl]-4-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)cc([C@H](O)CO)n1
InChIInChI=1S/C21H17F3N2O5/c22-21(23,24)31-16-3-1-2-15(10-16)30-14-6-4-12(5-7-14)13-8-17(19(28)11-27)26-18(9-13)20(25)29/h1-10,19,27-28H,11H2,(H2,25,29)/t19-/m1/s1
InChIKeyTZBIVDGZIQBEFX-LJQANCHMSA-N
XLogP3.56
TPSA114.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1,2-dihydroxyethyl]-4-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[(1S)-1,2-dihydroxyethyl]-4-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide (CID 66801760) is 6-[(1S)-1,2-dihydroxyethyl]-4-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(1S)-1,2-dihydroxyethyl]-4-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(1S)-1,2-dihydroxyethyl]-4-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)cc([C@H](O)CO)n1.
What is the InChIKey of 6-[(1S)-1,2-dihydroxyethyl]-4-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide?
The InChIKey is TZBIVDGZIQBEFX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H17F3N2O5/c22-21(23,24)31-16-3-1-2-15(10-16)30-14-6-4-12(5-7-14)13-8-17(19(28)11-27)26-18(9-13)20(25)29/h1-10,19,27-28H,11H2,(H2,25,29)/t19-/m1/s1.
What are the key properties of 6-[(1S)-1,2-dihydroxyethyl]-4-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide?
6-[(1S)-1,2-dihydroxyethyl]-4-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide has a molecular weight of 434.37 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1,2-dihydroxyethyl]-4-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 66801760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).