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

C21H17F3N2O5 — CID 66801408

IUPAC4-[(1S)-1,2-dihydroxyethyl]-6-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc([C@H](O)CO)cc(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C21H17F3N2O5/c22-21(23,24)31-16-7-5-15(6-8-16)30-14-3-1-12(2-4-14)17-9-13(19(28)11-27)10-18(26-17)20(25)29/h1-10,19,27-28H,11H2,(H2,25,29)/t19-/m1/s1
InChIKeyZTWSEFAVKLPMFW-LJQANCHMSA-N
MW434.37 g/mol
LogP3.56
Rot. Bonds7

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

4-[(1S)-1,2-dihydroxyethyl]-6-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide (PubChem CID 66801408) has the molecular formula C21H17F3N2O5 and a molecular weight of 434.37 g/mol. Its IUPAC name is 4-[(1S)-1,2-dihydroxyethyl]-6-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1,2-dihydroxyethyl]-6-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide
PubChem CID66801408
Molecular FormulaC21H17F3N2O5
Molecular Weight434.37 g/mol
Exact Mass434.11
IUPAC Name4-[(1S)-1,2-dihydroxyethyl]-6-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc([C@H](O)CO)cc(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C21H17F3N2O5/c22-21(23,24)31-16-7-5-15(6-8-16)30-14-3-1-12(2-4-14)17-9-13(19(28)11-27)10-18(26-17)20(25)29/h1-10,19,27-28H,11H2,(H2,25,29)/t19-/m1/s1
InChIKeyZTWSEFAVKLPMFW-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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Related Compounds

6-[4-(4-Fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 9836230
6-[4-(4-Fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11221428
(R)-1-(6-(4-(4-fluorophenoxy)phenyl)pyridin-2-yl)-2,3-
CID 71722102
5-(2-Fluoro-4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
CID 166461151
N-(3,5-dimethylphenyl)-6-(4-(trifluoromethoxy)phenyl)picolinamide
CID 52945734
N-[4-(2-hydroxypropan-2-yl)phenyl]-6-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide
CID 166634374
5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
CID 166635452
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56643906
N-((S)-1-amino-4-methyl-1-oxopentan-2-yl)-4-((S)-1,2-dihydroxyethyl)-6-(4-(4-fluorophenoxy)phenyl)picolinamide
CID 56644318
6-[4-(4-fluorophenoxy)phenyl]-4-(hydroxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 56943143
6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56943193
6-[(1R)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56943194

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1,2-dihydroxyethyl]-6-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(1S)-1,2-dihydroxyethyl]-6-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide (CID 66801408) is 4-[(1S)-1,2-dihydroxyethyl]-6-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(1S)-1,2-dihydroxyethyl]-6-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(1S)-1,2-dihydroxyethyl]-6-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide is NC(=O)c1cc([C@H](O)CO)cc(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1.
What is the InChIKey of 4-[(1S)-1,2-dihydroxyethyl]-6-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide?
The InChIKey is ZTWSEFAVKLPMFW-LJQANCHMSA-N. The full InChI is InChI=1S/C21H17F3N2O5/c22-21(23,24)31-16-7-5-15(6-8-16)30-14-3-1-12(2-4-14)17-9-13(19(28)11-27)10-18(26-17)20(25)29/h1-10,19,27-28H,11H2,(H2,25,29)/t19-/m1/s1.
What are the key properties of 4-[(1S)-1,2-dihydroxyethyl]-6-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide?
4-[(1S)-1,2-dihydroxyethyl]-6-[4-[4-(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 4-[(1S)-1,2-dihydroxyethyl]-6-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 66801408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).