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

C23H19F3N2O3 — CID 155464247

IUPACN-(3,6-dimethyl-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(C)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H19F3N2O3/c1-11-4-6-14-17(8-11)31-18-9-12(2)5-7-15(18)19(14)27-21(29)16-10-13(3)20(23(24,25)26)28-22(16)30/h4-10,19H,1-3H3,(H,27,29)(H,28,30)
InChIKeyBRFRTHBGRLONQW-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.94
Rot. Bonds2

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

N-(3,6-dimethyl-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464247) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-(3,6-dimethyl-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464247
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC NameN-(3,6-dimethyl-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(C)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H19F3N2O3/c1-11-4-6-14-17(8-11)31-18-9-12(2)5-7-15(18)19(14)27-21(29)16-10-13(3)20(23(24,25)26)28-22(16)30/h4-10,19H,1-3H3,(H,27,29)(H,28,30)
InChIKeyBRFRTHBGRLONQW-UHFFFAOYSA-N
XLogP4.94
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclohexyl-4-(4-methylphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carboxamide
CID 164623715
2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 112500063
N-(2-oxopiperidin-4-yl)-2-phenoxy-4-(trifluoromethyl)benzamide
CID 112500067
2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 112500068
2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 112500069
2-(4-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 112500070
2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide
CID 112500143
2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide
CID 112500166
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

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3,6-dimethyl-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464247) is N-(3,6-dimethyl-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3,6-dimethyl-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3,6-dimethyl-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1ccc2c(c1)Oc1cc(C)ccc1C2NC(=O)c1cc(C)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(3,6-dimethyl-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is BRFRTHBGRLONQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-11-4-6-14-17(8-11)31-18-9-12(2)5-7-15(18)19(14)27-21(29)16-10-13(3)20(23(24,25)26)28-22(16)30/h4-10,19H,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N-(3,6-dimethyl-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(3,6-dimethyl-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 428.41 g/mol, XLogP of 4.94, 2 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-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).