2-[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-pyridin-4-ylacetamide

C20H12ClF3N4O3 — CID 146000080

IUPAC2-[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-pyridin-4-ylacetamide
SMILESN#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ccn(CC(=O)Nc3ccncc3)c2=O)c1
InChIInChI=1S/C20H12ClF3N4O3/c21-13-7-12(10-25)8-15(9-13)31-18-16(20(22,23)24)3-6-28(19(18)30)11-17(29)27-14-1-4-26-5-2-14/h1-9H,11H2,(H,26,27,29)
InChIKeyNYNIMCUELFJSBR-UHFFFAOYSA-N
MW448.79 g/mol
LogP4.22
Rot. Bonds5

About 2-[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-pyridin-4-ylacetamide

2-[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-pyridin-4-ylacetamide (PubChem CID 146000080) has the molecular formula C20H12ClF3N4O3 and a molecular weight of 448.79 g/mol. Its IUPAC name is 2-[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-pyridin-4-ylacetamide
PubChem CID146000080
Molecular FormulaC20H12ClF3N4O3
Molecular Weight448.79 g/mol
Exact Mass448.06
IUPAC Name2-[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-pyridin-4-ylacetamide
SMILESN#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ccn(CC(=O)Nc3ccncc3)c2=O)c1
InChIInChI=1S/C20H12ClF3N4O3/c21-13-7-12(10-25)8-15(9-13)31-18-16(20(22,23)24)3-6-28(19(18)30)11-17(29)27-14-1-4-26-5-2-14/h1-9H,11H2,(H,26,27,29)
InChIKeyNYNIMCUELFJSBR-UHFFFAOYSA-N
XLogP4.22
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.79
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-pyridin-4-ylacetamide with MolForge

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Related Compounds

methyl 3-[[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]methyl]pyrazolo[3,4-b]pyridine-1-carboxylate
CID 53482586
3-chloro-5-[[2-oxo-1-(tributylstannylmethyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile
CID 134958541
3-chloro-5-[[1-[[1-(2,2-dimethylpropanoyl)pyrazolo[3,4-b]pyridin-3-yl]methyl]-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile
CID 121286661
N-(2-aminoethyl)-3-[[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]methyl]-N-methylpyrazolo[3,4-b]pyridine-1-carboxamide;methanesulfonic acid
CID 53482647
[1-amino-2-[[3-[[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]methyl]pyrazolo[3,4-b]pyridine-1-carbonyl]-methylamino]ethyl] 2,2,2-trifluoroacetate
CID 87404956
3-chloro-5-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]oxy]benzonitrile
CID 58460048
3-chloro-5-[[1-[[6-(difluoromethyl)-3-methoxypyridazin-4-yl]methyl]-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile;3-chloro-5-[[1-[[3-(difluoromethyl)-6-oxo-1H-pyridazin-5-yl]methyl]-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile
CID 160896989
2-[[3-[[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]methyl]pyrazolo[3,4-b]pyridine-1-carbonyl]-methylamino]ethylazanium;4-methylbenzenesulfonate
CID 89405141
3-chloro-5-[1-[(3-methoxypyrazin-2-yl)methyl]-6-oxo-4-(trifluoromethyl)pyrimidin-5-yl]oxybenzonitrile
CID 86715187
3-[1-[(Z,2Z)-4-amino-2-[amino(methoxy)methylidene]-4-phenylbut-3-enyl]-6-oxo-4-(trifluoromethyl)pyrimidin-5-yl]oxy-5-chlorobenzonitrile
CID 130436149
N-(3-chlorophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2746340
N-[(E)-[(E)-4-[5-(3-chloro-5-cyanophenoxy)-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-3-methyl-1-pyridin-3-ylbut-2-enylidene]amino]formamide
CID 130436033

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-pyridin-4-ylacetamide (CID 146000080) is 2-[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-pyridin-4-ylacetamide is N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ccn(CC(=O)Nc3ccncc3)c2=O)c1.
What is the InChIKey of 2-[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-pyridin-4-ylacetamide?
The InChIKey is NYNIMCUELFJSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N4O3/c21-13-7-12(10-25)8-15(9-13)31-18-16(20(22,23)24)3-6-28(19(18)30)11-17(29)27-14-1-4-26-5-2-14/h1-9H,11H2,(H,26,27,29).
What are the key properties of 2-[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-pyridin-4-ylacetamide?
2-[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-pyridin-4-ylacetamide has a molecular weight of 448.79 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-5-cyanophenoxy)-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 146000080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).