6-(3-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C27H24FN3O6S — CID 121251020

IUPAC6-(3-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCOc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(Oc3c(C)cc(C)cc3C)n2)c1
InChIInChI=1S/C27H24FN3O6S/c1-15-10-16(2)24(17(3)11-15)37-27-21(25(32)31-38(34,35)23-6-5-9-29-26(23)33)7-8-22(30-27)18-12-19(28)14-20(13-18)36-4/h5-14H,1-4H3,(H,29,33)(H,31,32)
InChIKeyQDSLGKCYPBUBTP-UHFFFAOYSA-N
MW537.57 g/mol
LogP4.42
Rot. Bonds7

About 6-(3-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

6-(3-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121251020) has the molecular formula C27H24FN3O6S and a molecular weight of 537.57 g/mol. Its IUPAC name is 6-(3-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121251020
Molecular FormulaC27H24FN3O6S
Molecular Weight537.57 g/mol
Exact Mass537.14
IUPAC Name6-(3-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCOc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(Oc3c(C)cc(C)cc3C)n2)c1
InChIInChI=1S/C27H24FN3O6S/c1-15-10-16(2)24(17(3)11-15)37-27-21(25(32)31-38(34,35)23-6-5-9-29-26(23)33)7-8-22(30-27)18-12-19(28)14-20(13-18)36-4/h5-14H,1-4H3,(H,29,33)(H,31,32)
InChIKeyQDSLGKCYPBUBTP-UHFFFAOYSA-N
XLogP4.42
TPSA127.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.57
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(3-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 162653908
2-(4-Phenoxyphenyl)-6-(1-(vinylsulfonyl)piperidin-4-yl)nicotinamide
CID 117977486
2-fluoro-5-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]-N-methylbenzamide
CID 166628124
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46068582
6-(3-fluoro-5-methoxyphenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 117897415
Benzamide, 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)-
CID 118325395
2-(4-fluoro-2-methylphenoxy)-N-[3-fluoro-2-(methylsulfamoyl)phenyl]quinoline-3-carboxamide
CID 118522068
6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250495
6-tert-butyl-N-[6-(difluoromethyl)pyridin-2-yl]sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250516
6-(3-ethoxy-4-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250776
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,6-dimethylphenoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 121250838
6-(2,3-difluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250883

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121251020) is 6-(3-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(Oc3c(C)cc(C)cc3C)n2)c1.
What is the InChIKey of 6-(3-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is QDSLGKCYPBUBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O6S/c1-15-10-16(2)24(17(3)11-15)37-27-21(25(32)31-38(34,35)23-6-5-9-29-26(23)33)7-8-22(30-27)18-12-19(28)14-20(13-18)36-4/h5-14H,1-4H3,(H,29,33)(H,31,32).
What are the key properties of 6-(3-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
6-(3-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 537.57 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121251020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).