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

C22H13Cl2F3N2O3 — CID 155464286

IUPACN-(3,6-dichloro-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=Cc1cc(C(=O)NC2c3ccc(Cl)cc3Oc3cc(Cl)ccc32)c(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C22H13Cl2F3N2O3/c1-2-10-7-15(21(31)29-19(10)22(25,26)27)20(30)28-18-13-5-3-11(23)8-16(13)32-17-9-12(24)4-6-14(17)18/h2-9,18H,1H2,(H,28,30)(H,29,31)
InChIKeySUYRYHPJOVWIBS-UHFFFAOYSA-N
MW481.26 g/mol
LogP5.97
Rot. Bonds3

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

N-(3,6-dichloro-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464286) has the molecular formula C22H13Cl2F3N2O3 and a molecular weight of 481.26 g/mol. Its IUPAC name is N-(3,6-dichloro-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,6-dichloro-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464286
Molecular FormulaC22H13Cl2F3N2O3
Molecular Weight481.26 g/mol
Exact Mass480.03
IUPAC NameN-(3,6-dichloro-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=Cc1cc(C(=O)NC2c3ccc(Cl)cc3Oc3cc(Cl)ccc32)c(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C22H13Cl2F3N2O3/c1-2-10-7-15(21(31)29-19(10)22(25,26)27)20(30)28-18-13-5-3-11(23)8-16(13)32-17-9-12(24)4-6-14(17)18/h2-9,18H,1H2,(H,28,30)(H,29,31)
InChIKeySUYRYHPJOVWIBS-UHFFFAOYSA-N
XLogP5.97
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.26
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorobenzyl)-2-oxo-2H-chromene-3-carboxamide
CID 694720
4-chloro-2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)benzamide
CID 112500071
N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464232
N-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464241
N-(3,6-dimethyl-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464247
N-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464248
N-(3,6-dichloro-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464256
N-(3,6-dichloro-9H-xanthen-9-yl)-2-oxo-5-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464275
N-(3-chloro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464276
N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464277
N-(3,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464282
N-(1,6-dichloro-9H-xanthen-9-yl)-2-oxo-5-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464285

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dichloro-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3,6-dichloro-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464286) is N-(3,6-dichloro-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3,6-dichloro-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3,6-dichloro-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is C=Cc1cc(C(=O)NC2c3ccc(Cl)cc3Oc3cc(Cl)ccc32)c(=O)[nH]c1C(F)(F)F.
What is the InChIKey of N-(3,6-dichloro-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is SUYRYHPJOVWIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2F3N2O3/c1-2-10-7-15(21(31)29-19(10)22(25,26)27)20(30)28-18-13-5-3-11(23)8-16(13)32-17-9-12(24)4-6-14(17)18/h2-9,18H,1H2,(H,28,30)(H,29,31).
What are the key properties of N-(3,6-dichloro-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(3,6-dichloro-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 481.26 g/mol, XLogP of 5.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dichloro-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).