2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide

C20H19F3N4O3 — CID 166487064

IUPAC2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide
SMILESCc1nn(C)c(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)c1C
InChIInChI=1S/C20H19F3N4O3/c1-10-11(2)26-27(3)16(10)9-30-13-6-4-12(5-7-13)14-8-15(18(24)28)19(29)25-17(14)20(21,22)23/h4-8H,9H2,1-3H3,(H2,24,28)(H,25,29)
InChIKeyJBIIMHJDKCLYRS-UHFFFAOYSA-N
MW420.39 g/mol
LogP3.09
Rot. Bonds5

About 2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide

2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide (PubChem CID 166487064) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is 2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide
PubChem CID166487064
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC Name2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide
SMILESCc1nn(C)c(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)c1C
InChIInChI=1S/C20H19F3N4O3/c1-10-11(2)26-27(3)16(10)9-30-13-6-4-12(5-7-13)14-8-15(18(24)28)19(29)25-17(14)20(21,22)23/h4-8H,9H2,1-3H3,(H2,24,28)(H,25,29)
InChIKeyJBIIMHJDKCLYRS-UHFFFAOYSA-N
XLogP3.09
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487335
5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486899
5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487120
2-oxo-5-[4-(thiophen-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486981
5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487502
2-oxo-5-[4-(pyridin-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487400
2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487232
2-oxo-5-[4-(tetrazolo[1,5-a]pyridin-7-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487448
5-[4-[[2-(heptylamino)pyrimidin-5-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487375
tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 166487209
5-[4-(oxan-4-ylmethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487366
5-[4-[[(2S,6S)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486804

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide (CID 166487064) is 2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide is Cc1nn(C)c(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)c1C.
What is the InChIKey of 2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide?
The InChIKey is JBIIMHJDKCLYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-10-11(2)26-27(3)16(10)9-30-13-6-4-12(5-7-13)14-8-15(18(24)28)19(29)25-17(14)20(21,22)23/h4-8H,9H2,1-3H3,(H2,24,28)(H,25,29).
What are the key properties of 2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide?
2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166487064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).