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

C23H17F3N2O4 — CID 155464371

IUPACN-(1,6-dimethyl-9H-xanthen-9-yl)-5-formyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)Oc1cccc(C)c1C2NC(=O)c1cc(C=O)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H17F3N2O4/c1-11-6-7-14-17(8-11)32-16-5-3-4-12(2)18(16)19(14)27-21(30)15-9-13(10-29)20(23(24,25)26)28-22(15)31/h3-10,19H,1-2H3,(H,27,30)(H,28,31)
InChIKeyNWIUSRWNOPUYMJ-UHFFFAOYSA-N
MW442.39 g/mol
LogP4.45
Rot. Bonds3

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

N-(1,6-dimethyl-9H-xanthen-9-yl)-5-formyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464371) has the molecular formula C23H17F3N2O4 and a molecular weight of 442.39 g/mol. Its IUPAC name is N-(1,6-dimethyl-9H-xanthen-9-yl)-5-formyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,6-dimethyl-9H-xanthen-9-yl)-5-formyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464371
Molecular FormulaC23H17F3N2O4
Molecular Weight442.39 g/mol
Exact Mass442.11
IUPAC NameN-(1,6-dimethyl-9H-xanthen-9-yl)-5-formyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)Oc1cccc(C)c1C2NC(=O)c1cc(C=O)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H17F3N2O4/c1-11-6-7-14-17(8-11)32-16-5-3-4-12(2)18(16)19(14)27-21(30)15-9-13(10-29)20(23(24,25)26)28-22(15)31/h3-10,19H,1-2H3,(H,27,30)(H,28,31)
InChIKeyNWIUSRWNOPUYMJ-UHFFFAOYSA-N
XLogP4.45
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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)-2-oxo-5-(2-phenylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464909
N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464792
N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-5-pyridin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464781
N-(1,6-dichloro-9H-xanthen-9-yl)-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464832
N-(2-methyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464530
2-oxo-N-[3-(2,2,2-trifluoroethyl)-9H-xanthen-9-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464634
N-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464489
N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464353
N-(6-methyl-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-5-phenyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155571895
6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide
CID 95977242
N-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
CID 171903969

Frequently Asked Questions

What is the IUPAC name of N-(1,6-dimethyl-9H-xanthen-9-yl)-5-formyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1,6-dimethyl-9H-xanthen-9-yl)-5-formyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464371) is N-(1,6-dimethyl-9H-xanthen-9-yl)-5-formyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1,6-dimethyl-9H-xanthen-9-yl)-5-formyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1,6-dimethyl-9H-xanthen-9-yl)-5-formyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1ccc2c(c1)Oc1cccc(C)c1C2NC(=O)c1cc(C=O)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(1,6-dimethyl-9H-xanthen-9-yl)-5-formyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is NWIUSRWNOPUYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O4/c1-11-6-7-14-17(8-11)32-16-5-3-4-12(2)18(16)19(14)27-21(30)15-9-13(10-29)20(23(24,25)26)28-22(15)31/h3-10,19H,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-(1,6-dimethyl-9H-xanthen-9-yl)-5-formyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(1,6-dimethyl-9H-xanthen-9-yl)-5-formyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 442.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,6-dimethyl-9H-xanthen-9-yl)-5-formyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).