2-oxo-N-(2-propyl-9H-xanthen-9-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C23H19F3N2O3 — CID 155464340

IUPAC2-oxo-N-(2-propyl-9H-xanthen-9-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCc1ccc2c(c1)C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccccc1O2
InChIInChI=1S/C23H19F3N2O3/c1-2-5-13-8-10-18-16(12-13)20(14-6-3-4-7-17(14)31-18)28-22(30)15-9-11-19(23(24,25)26)27-21(15)29/h3-4,6-12,20H,2,5H2,1H3,(H,27,29)(H,28,30)
InChIKeyKKRICIDFLIQKSU-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.97
Rot. Bonds4

About 2-oxo-N-(2-propyl-9H-xanthen-9-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-(2-propyl-9H-xanthen-9-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464340) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-oxo-N-(2-propyl-9H-xanthen-9-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2-propyl-9H-xanthen-9-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464340
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name2-oxo-N-(2-propyl-9H-xanthen-9-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCc1ccc2c(c1)C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccccc1O2
InChIInChI=1S/C23H19F3N2O3/c1-2-5-13-8-10-18-16(12-13)20(14-6-3-4-7-17(14)31-18)28-22(30)15-9-11-19(23(24,25)26)27-21(15)29/h3-4,6-12,20H,2,5H2,1H3,(H,27,29)(H,28,30)
InChIKeyKKRICIDFLIQKSU-UHFFFAOYSA-N
XLogP4.97
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-oxo-N-(2-propyl-9H-xanthen-9-yl)-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 2-oxo-N-(2-propyl-9H-xanthen-9-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(2-propyl-9H-xanthen-9-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464340) is 2-oxo-N-(2-propyl-9H-xanthen-9-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(2-propyl-9H-xanthen-9-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(2-propyl-9H-xanthen-9-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCCc1ccc2c(c1)C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccccc1O2.
What is the InChIKey of 2-oxo-N-(2-propyl-9H-xanthen-9-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is KKRICIDFLIQKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-2-5-13-8-10-18-16(12-13)20(14-6-3-4-7-17(14)31-18)28-22(30)15-9-11-19(23(24,25)26)27-21(15)29/h3-4,6-12,20H,2,5H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 2-oxo-N-(2-propyl-9H-xanthen-9-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(2-propyl-9H-xanthen-9-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 428.41 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-propyl-9H-xanthen-9-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).