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

C28H25F3N2O3 — CID 155464311

IUPAC5-(cyclohexen-1-yl)-N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(C2=CCCCC2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C28H25F3N2O3/c1-15-8-10-18-22(12-15)36-23-13-16(2)9-11-19(23)24(18)32-26(34)21-14-20(17-6-4-3-5-7-17)25(28(29,30)31)33-27(21)35/h6,8-14,24H,3-5,7H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyRUVKDOYXTSRZRL-UHFFFAOYSA-N
MW494.51 g/mol
LogP6.59
Rot. Bonds3

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

5-(cyclohexen-1-yl)-N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464311) has the molecular formula C28H25F3N2O3 and a molecular weight of 494.51 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464311
Molecular FormulaC28H25F3N2O3
Molecular Weight494.51 g/mol
Exact Mass494.18
IUPAC Name5-(cyclohexen-1-yl)-N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(C2=CCCCC2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C28H25F3N2O3/c1-15-8-10-18-22(12-15)36-23-13-16(2)9-11-19(23)24(18)32-26(34)21-14-20(17-6-4-3-5-7-17)25(28(29,30)31)33-27(21)35/h6,8-14,24H,3-5,7H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyRUVKDOYXTSRZRL-UHFFFAOYSA-N
XLogP6.59
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.51
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(cyclohexen-1-yl)-N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5-(cyclohexen-1-yl)-N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464311) is 5-(cyclohexen-1-yl)-N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-(cyclohexen-1-yl)-N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-(cyclohexen-1-yl)-N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(C2=CCCCC2)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 5-(cyclohexen-1-yl)-N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is RUVKDOYXTSRZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N2O3/c1-15-8-10-18-22(12-15)36-23-13-16(2)9-11-19(23)24(18)32-26(34)21-14-20(17-6-4-3-5-7-17)25(28(29,30)31)33-27(21)35/h6,8-14,24H,3-5,7H2,1-2H3,(H,32,34)(H,33,35).
What are the key properties of 5-(cyclohexen-1-yl)-N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
5-(cyclohexen-1-yl)-N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 494.51 g/mol, XLogP of 6.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).