6-(difluoromethyl)-2-oxo-N-(9H-thioxanthen-9-yl)-1H-pyridine-3-carboxamide

C20H14F2N2O2S — CID 155571835

IUPAC6-(difluoromethyl)-2-oxo-N-(9H-thioxanthen-9-yl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2Sc2ccccc21)c1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C20H14F2N2O2S/c21-18(22)14-10-9-13(19(25)23-14)20(26)24-17-11-5-1-3-7-15(11)27-16-8-4-2-6-12(16)17/h1-10,17-18H,(H,23,25)(H,24,26)
InChIKeyFLKWMZLOVOYVMM-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.30
Rot. Bonds3

About 6-(difluoromethyl)-2-oxo-N-(9H-thioxanthen-9-yl)-1H-pyridine-3-carboxamide

6-(difluoromethyl)-2-oxo-N-(9H-thioxanthen-9-yl)-1H-pyridine-3-carboxamide (PubChem CID 155571835) has the molecular formula C20H14F2N2O2S and a molecular weight of 384.41 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-oxo-N-(9H-thioxanthen-9-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-2-oxo-N-(9H-thioxanthen-9-yl)-1H-pyridine-3-carboxamide
PubChem CID155571835
Molecular FormulaC20H14F2N2O2S
Molecular Weight384.41 g/mol
Exact Mass384.07
IUPAC Name6-(difluoromethyl)-2-oxo-N-(9H-thioxanthen-9-yl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2Sc2ccccc21)c1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C20H14F2N2O2S/c21-18(22)14-10-9-13(19(25)23-14)20(26)24-17-11-5-1-3-7-15(11)27-16-8-4-2-6-12(16)17/h1-10,17-18H,(H,23,25)(H,24,26)
InChIKeyFLKWMZLOVOYVMM-UHFFFAOYSA-N
XLogP4.30
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethenyl-9H-thioxanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464778
6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 158741537
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976311
N-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 155571812
N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464359
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976369
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976368
N-(2-methyl-9H-fluoren-9-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464530
methyl 2-(9H-thioxanthen-9-yl)acetate
CID 102591196
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 30133677
N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464353
N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 171444803

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-oxo-N-(9H-thioxanthen-9-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(difluoromethyl)-2-oxo-N-(9H-thioxanthen-9-yl)-1H-pyridine-3-carboxamide (CID 155571835) is 6-(difluoromethyl)-2-oxo-N-(9H-thioxanthen-9-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-2-oxo-N-(9H-thioxanthen-9-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-2-oxo-N-(9H-thioxanthen-9-yl)-1H-pyridine-3-carboxamide is O=C(NC1c2ccccc2Sc2ccccc21)c1ccc(C(F)F)[nH]c1=O.
What is the InChIKey of 6-(difluoromethyl)-2-oxo-N-(9H-thioxanthen-9-yl)-1H-pyridine-3-carboxamide?
The InChIKey is FLKWMZLOVOYVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O2S/c21-18(22)14-10-9-13(19(25)23-14)20(26)24-17-11-5-1-3-7-15(11)27-16-8-4-2-6-12(16)17/h1-10,17-18H,(H,23,25)(H,24,26).
What are the key properties of 6-(difluoromethyl)-2-oxo-N-(9H-thioxanthen-9-yl)-1H-pyridine-3-carboxamide?
6-(difluoromethyl)-2-oxo-N-(9H-thioxanthen-9-yl)-1H-pyridine-3-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-oxo-N-(9H-thioxanthen-9-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155571835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).