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

C24H19F3N2O3 — CID 155464310

IUPACN-(3,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=Cc1cc(C(=O)NC2c3ccc(C)cc3Oc3cc(C)ccc32)c(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C24H19F3N2O3/c1-4-14-11-17(23(31)29-21(14)24(25,26)27)22(30)28-20-15-7-5-12(2)9-18(15)32-19-10-13(3)6-8-16(19)20/h4-11,20H,1H2,2-3H3,(H,28,30)(H,29,31)
InChIKeyUVWMNLPBGOMHTG-UHFFFAOYSA-N
MW440.42 g/mol
LogP5.28
Rot. Bonds3

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

N-(3,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464310) has the molecular formula C24H19F3N2O3 and a molecular weight of 440.42 g/mol. Its IUPAC name is N-(3,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464310
Molecular FormulaC24H19F3N2O3
Molecular Weight440.42 g/mol
Exact Mass440.13
IUPAC NameN-(3,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=Cc1cc(C(=O)NC2c3ccc(C)cc3Oc3cc(C)ccc32)c(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C24H19F3N2O3/c1-4-14-11-17(23(31)29-21(14)24(25,26)27)22(30)28-20-15-7-5-12(2)9-18(15)32-19-10-13(3)6-8-16(19)20/h4-11,20H,1H2,2-3H3,(H,28,30)(H,29,31)
InChIKeyUVWMNLPBGOMHTG-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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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464310) is N-(3,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is C=Cc1cc(C(=O)NC2c3ccc(C)cc3Oc3cc(C)ccc32)c(=O)[nH]c1C(F)(F)F.
What is the InChIKey of N-(3,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is UVWMNLPBGOMHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O3/c1-4-14-11-17(23(31)29-21(14)24(25,26)27)22(30)28-20-15-7-5-12(2)9-18(15)32-19-10-13(3)6-8-16(19)20/h4-11,20H,1H2,2-3H3,(H,28,30)(H,29,31).
What are the key properties of N-(3,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(3,6-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-(3,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).