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

C20H12ClF3N2O3 — CID 155464276

IUPACN-(3-chloro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2Oc2cc(Cl)ccc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C20H12ClF3N2O3/c21-10-5-6-12-15(9-10)29-14-4-2-1-3-11(14)17(12)26-19(28)13-7-8-16(20(22,23)24)25-18(13)27/h1-9,17H,(H,25,27)(H,26,28)
InChIKeyKQOMWRWWEWMXTP-UHFFFAOYSA-N
MW420.77 g/mol
LogP4.67
Rot. Bonds2

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

N-(3-chloro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464276) has the molecular formula C20H12ClF3N2O3 and a molecular weight of 420.77 g/mol. Its IUPAC name is N-(3-chloro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464276
Molecular FormulaC20H12ClF3N2O3
Molecular Weight420.77 g/mol
Exact Mass420.05
IUPAC NameN-(3-chloro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2Oc2cc(Cl)ccc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C20H12ClF3N2O3/c21-10-5-6-12-15(9-10)29-14-4-2-1-3-11(14)17(12)26-19(28)13-7-8-16(20(22,23)24)25-18(13)27/h1-9,17H,(H,25,27)(H,26,28)
InChIKeyKQOMWRWWEWMXTP-UHFFFAOYSA-N
XLogP4.67
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.77
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-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

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-(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
N-(3,6-dichloro-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464286

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464276) is N-(3-chloro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC1c2ccccc2Oc2cc(Cl)ccc21)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(3-chloro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is KQOMWRWWEWMXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N2O3/c21-10-5-6-12-15(9-10)29-14-4-2-1-3-11(14)17(12)26-19(28)13-7-8-16(20(22,23)24)25-18(13)27/h1-9,17H,(H,25,27)(H,26,28).
What are the key properties of N-(3-chloro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(3-chloro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 420.77 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).