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

C26H21F2N3O5S — CID 121250883

IUPAC6-(2,3-difluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(-c3cccc(F)c3F)ccc2C(=O)NS(=O)(=O)c2ccc[nH]c2=O)c(C)c1
InChIInChI=1S/C26H21F2N3O5S/c1-14-12-15(2)23(16(3)13-14)36-26-18(9-10-20(30-26)17-6-4-7-19(27)22(17)28)24(32)31-37(34,35)21-8-5-11-29-25(21)33/h4-13H,1-3H3,(H,29,33)(H,31,32)
InChIKeySTXCQDIJVLGGRY-UHFFFAOYSA-N
MW525.53 g/mol
LogP4.55
Rot. Bonds6

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

6-(2,3-difluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121250883) has the molecular formula C26H21F2N3O5S and a molecular weight of 525.53 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121250883
Molecular FormulaC26H21F2N3O5S
Molecular Weight525.53 g/mol
Exact Mass525.12
IUPAC Name6-(2,3-difluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(-c3cccc(F)c3F)ccc2C(=O)NS(=O)(=O)c2ccc[nH]c2=O)c(C)c1
InChIInChI=1S/C26H21F2N3O5S/c1-14-12-15(2)23(16(3)13-14)36-26-18(9-10-20(30-26)17-6-4-7-19(27)22(17)28)24(32)31-37(34,35)21-8-5-11-29-25(21)33/h4-13H,1-3H3,(H,29,33)(H,31,32)
InChIKeySTXCQDIJVLGGRY-UHFFFAOYSA-N
XLogP4.55
TPSA118.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.53
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
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CID 117616825
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CID 3807670
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46068582
N-[[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-8-yl]methyl]methanesulfonamide
CID 15896171

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 6-(2,3-difluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121250883) is 6-(2,3-difluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,3-difluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-(2,3-difluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3cccc(F)c3F)ccc2C(=O)NS(=O)(=O)c2ccc[nH]c2=O)c(C)c1.
What is the InChIKey of 6-(2,3-difluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is STXCQDIJVLGGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N3O5S/c1-14-12-15(2)23(16(3)13-14)36-26-18(9-10-20(30-26)17-6-4-7-19(27)22(17)28)24(32)31-37(34,35)21-8-5-11-29-25(21)33/h4-13H,1-3H3,(H,29,33)(H,31,32).
What are the key properties of 6-(2,3-difluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
6-(2,3-difluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 525.53 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121250883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).