N-(3,6-dimethyl-9H-xanthen-9-yl)-4-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C24H21F3N2O3 — CID 155464661

IUPACN-(3,6-dimethyl-9H-xanthen-9-yl)-4-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)NC1c2ccc(C)cc2Oc2cc(C)ccc21
InChIInChI=1S/C24H21F3N2O3/c1-4-14-11-19(24(25,26)27)28-22(30)20(14)23(31)29-21-15-7-5-12(2)9-17(15)32-18-10-13(3)6-8-16(18)21/h5-11,21H,4H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyAATVTWAUFJLGPV-UHFFFAOYSA-N
MW442.44 g/mol
LogP5.20
Rot. Bonds3

About N-(3,6-dimethyl-9H-xanthen-9-yl)-4-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(3,6-dimethyl-9H-xanthen-9-yl)-4-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464661) has the molecular formula C24H21F3N2O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-(3,6-dimethyl-9H-xanthen-9-yl)-4-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-9H-xanthen-9-yl)-4-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464661
Molecular FormulaC24H21F3N2O3
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC NameN-(3,6-dimethyl-9H-xanthen-9-yl)-4-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)NC1c2ccc(C)cc2Oc2cc(C)ccc21
InChIInChI=1S/C24H21F3N2O3/c1-4-14-11-19(24(25,26)27)28-22(30)20(14)23(31)29-21-15-7-5-12(2)9-17(15)32-18-10-13(3)6-8-16(18)21/h5-11,21H,4H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyAATVTWAUFJLGPV-UHFFFAOYSA-N
XLogP5.20
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 164623715
1-(7-Trifluoromethyl-2,2-dimethyl-2H-1-benzopyran-4-yl)piperidin-2-one
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N-(2-oxopiperidin-4-yl)-2-phenoxy-4-(trifluoromethyl)benzamide
CID 112500067
2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 112500069
2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide
CID 112500143
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N-[1-[4-[[5-[(2,2-difluorocyclopropyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]ethyl]acetamide
CID 118940233
N-cyclohexyl-4-(4-methylphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carboxamide
CID 122362756
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

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-9H-xanthen-9-yl)-4-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3,6-dimethyl-9H-xanthen-9-yl)-4-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464661) is N-(3,6-dimethyl-9H-xanthen-9-yl)-4-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3,6-dimethyl-9H-xanthen-9-yl)-4-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3,6-dimethyl-9H-xanthen-9-yl)-4-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)NC1c2ccc(C)cc2Oc2cc(C)ccc21.
What is the InChIKey of N-(3,6-dimethyl-9H-xanthen-9-yl)-4-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is AATVTWAUFJLGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O3/c1-4-14-11-19(24(25,26)27)28-22(30)20(14)23(31)29-21-15-7-5-12(2)9-17(15)32-18-10-13(3)6-8-16(18)21/h5-11,21H,4H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of N-(3,6-dimethyl-9H-xanthen-9-yl)-4-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(3,6-dimethyl-9H-xanthen-9-yl)-4-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 442.44 g/mol, XLogP of 5.20, 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)-4-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).