5-ethyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C21H20F3N3O4 — CID 11852866

IUPAC5-ethyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCc1cc(C(=O)NCc2cc(CO)no2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C21H20F3N3O4/c1-3-13-7-18(19(29)25-10-17-9-15(11-28)26-31-17)20(30)27(12(13)2)16-6-4-5-14(8-16)21(22,23)24/h4-9,28H,3,10-11H2,1-2H3,(H,25,29)
InChIKeyBLXUJXBMVFDAJN-UHFFFAOYSA-N
MW435.40 g/mol
LogP3.14
Rot. Bonds6

About 5-ethyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-ethyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11852866) has the molecular formula C21H20F3N3O4 and a molecular weight of 435.40 g/mol. Its IUPAC name is 5-ethyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID11852866
Molecular FormulaC21H20F3N3O4
Molecular Weight435.40 g/mol
Exact Mass435.14
IUPAC Name5-ethyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCc1cc(C(=O)NCc2cc(CO)no2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C21H20F3N3O4/c1-3-13-7-18(19(29)25-10-17-9-15(11-28)26-31-17)20(30)27(12(13)2)16-6-4-5-14(8-16)21(22,23)24/h4-9,28H,3,10-11H2,1-2H3,(H,25,29)
InChIKeyBLXUJXBMVFDAJN-UHFFFAOYSA-N
XLogP3.14
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-ethyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11852866) is 5-ethyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CCc1cc(C(=O)NCc2cc(CO)no2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of 5-ethyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is BLXUJXBMVFDAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O4/c1-3-13-7-18(19(29)25-10-17-9-15(11-28)26-31-17)20(30)27(12(13)2)16-6-4-5-14(8-16)21(22,23)24/h4-9,28H,3,10-11H2,1-2H3,(H,25,29).
What are the key properties of 5-ethyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-ethyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 435.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11852866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).