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

C21H17F3N2O5 — CID 66801403

IUPAC4-[(1S)-1,2-dihydroxyethyl]-6-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc([C@H](O)CO)cc(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)n1
InChIInChI=1S/C21H17F3N2O5/c22-21(23,24)31-16-3-1-2-15(10-16)30-14-6-4-12(5-7-14)17-8-13(19(28)11-27)9-18(26-17)20(25)29/h1-10,19,27-28H,11H2,(H2,25,29)/t19-/m1/s1
InChIKeyFEXUYLRIKVYFLA-LJQANCHMSA-N
MW434.37 g/mol
LogP3.56
Rot. Bonds7

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

4-[(1S)-1,2-dihydroxyethyl]-6-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide (PubChem CID 66801403) 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-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1,2-dihydroxyethyl]-6-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide
PubChem CID66801403
Molecular FormulaC21H17F3N2O5
Molecular Weight434.37 g/mol
Exact Mass434.11
IUPAC Name4-[(1S)-1,2-dihydroxyethyl]-6-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc([C@H](O)CO)cc(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)n1
InChIInChI=1S/C21H17F3N2O5/c22-21(23,24)31-16-3-1-2-15(10-16)30-14-6-4-12(5-7-14)17-8-13(19(28)11-27)9-18(26-17)20(25)29/h1-10,19,27-28H,11H2,(H2,25,29)/t19-/m1/s1
InChIKeyFEXUYLRIKVYFLA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1,2-dihydroxyethyl]-6-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(1S)-1,2-dihydroxyethyl]-6-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide (CID 66801403) is 4-[(1S)-1,2-dihydroxyethyl]-6-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(1S)-1,2-dihydroxyethyl]-6-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(1S)-1,2-dihydroxyethyl]-6-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide is NC(=O)c1cc([C@H](O)CO)cc(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)n1.
What is the InChIKey of 4-[(1S)-1,2-dihydroxyethyl]-6-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide?
The InChIKey is FEXUYLRIKVYFLA-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)17-8-13(19(28)11-27)9-18(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-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide?
4-[(1S)-1,2-dihydroxyethyl]-6-[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 4-[(1S)-1,2-dihydroxyethyl]-6-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 66801403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).