N-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C24H19F3N2O3 — CID 155464241

IUPACN-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=Cc1cc(C(=O)NC2c3ccc(C)cc3Oc3cccc(C)c32)c(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C24H19F3N2O3/c1-4-14-11-16(23(31)29-21(14)24(25,26)27)22(30)28-20-15-9-8-12(2)10-18(15)32-17-7-5-6-13(3)19(17)20/h4-11,20H,1H2,2-3H3,(H,28,30)(H,29,31)
InChIKeyPZPYRDNUVBOSIF-UHFFFAOYSA-N
MW440.42 g/mol
LogP5.28
Rot. Bonds3

About N-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464241) has the molecular formula C24H19F3N2O3 and a molecular weight of 440.42 g/mol. Its IUPAC name is N-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464241
Molecular FormulaC24H19F3N2O3
Molecular Weight440.42 g/mol
Exact Mass440.13
IUPAC NameN-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=Cc1cc(C(=O)NC2c3ccc(C)cc3Oc3cccc(C)c32)c(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C24H19F3N2O3/c1-4-14-11-16(23(31)29-21(14)24(25,26)27)22(30)28-20-15-9-8-12(2)10-18(15)32-17-7-5-6-13(3)19(17)20/h4-11,20H,1H2,2-3H3,(H,28,30)(H,29,31)
InChIKeyPZPYRDNUVBOSIF-UHFFFAOYSA-N
XLogP5.28
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.42
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,6-dimethyl-9H-xanthen-9-yl)-5-formyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464371
N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-5-(2-phenylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464909
N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-5-pyridin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464781
N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464792
N-(1,6-dichloro-9H-xanthen-9-yl)-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464832
2-oxo-N-[3-(2,2,2-trifluoroethyl)-9H-xanthen-9-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464634
N-(2-methyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464530
N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464353
N-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155571895
N-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464489
N-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
CID 171903969
6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide
CID 95977242

Frequently Asked Questions

What is the IUPAC name of N-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464241) is N-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is C=Cc1cc(C(=O)NC2c3ccc(C)cc3Oc3cccc(C)c32)c(=O)[nH]c1C(F)(F)F.
What is the InChIKey of N-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is PZPYRDNUVBOSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O3/c1-4-14-11-16(23(31)29-21(14)24(25,26)27)22(30)28-20-15-9-8-12(2)10-18(15)32-17-7-5-6-13(3)19(17)20/h4-11,20H,1H2,2-3H3,(H,28,30)(H,29,31).
What are the key properties of N-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 440.42 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).