N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-ethoxy-5-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C28H27FN4O5S — CID 121251466

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-ethoxy-5-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCCOc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(Oc3c(C)cc(C)cc3C)n2)c1
InChIInChI=1S/C28H27FN4O5S/c1-5-37-21-14-19(13-20(29)15-21)23-10-9-22(27(34)33-39(35,36)25-8-6-7-24(30)32-25)28(31-23)38-26-17(3)11-16(2)12-18(26)4/h6-15H,5H2,1-4H3,(H2,30,32)(H,33,34)
InChIKeyGQCDKGVWXMODBG-UHFFFAOYSA-N
MW550.61 g/mol
LogP5.10
Rot. Bonds8

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-ethoxy-5-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-ethoxy-5-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121251466) has the molecular formula C28H27FN4O5S and a molecular weight of 550.61 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-ethoxy-5-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-ethoxy-5-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121251466
Molecular FormulaC28H27FN4O5S
Molecular Weight550.61 g/mol
Exact Mass550.17
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-ethoxy-5-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCCOc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(Oc3c(C)cc(C)cc3C)n2)c1
InChIInChI=1S/C28H27FN4O5S/c1-5-37-21-14-19(13-20(29)15-21)23-10-9-22(27(34)33-39(35,36)25-8-6-7-24(30)32-25)28(31-23)38-26-17(3)11-16(2)12-18(26)4/h6-15H,5H2,1-4H3,(H2,30,32)(H,33,34)
InChIKeyGQCDKGVWXMODBG-UHFFFAOYSA-N
XLogP5.10
TPSA133.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.61
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-ethoxy-5-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

Preparation of (14S)-8-[3-fluoro-5-(2-methylpropoxy)phenyl]-12,12-dimethyl-2lambda6-thia-3,9,11,18,23-pentaazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5,7,9,19(23),20-hexaene-2,2,4-trione
CID 139399907
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylazetidin-1-yl)pyridine-3-carboxamide
CID 121250415
N-(6-aminopyridin-2-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-methyl-5-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 121250426
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azabicyclo[4.1.0]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 121250430
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)pyridine-3-carboxamide
CID 121250445
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide
CID 121250468
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxypyridine-3-carboxamide
CID 121250478
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azaspiro[3.3]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 121250480
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 121250484
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250492
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(7-fluoro-1,3-benzodioxol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250494
N-(6-aminopyridin-2-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250501

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-ethoxy-5-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-ethoxy-5-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121251466) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-ethoxy-5-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-ethoxy-5-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-ethoxy-5-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is CCOc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(Oc3c(C)cc(C)cc3C)n2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-ethoxy-5-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is GQCDKGVWXMODBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O5S/c1-5-37-21-14-19(13-20(29)15-21)23-10-9-22(27(34)33-39(35,36)25-8-6-7-24(30)32-25)28(31-23)38-26-17(3)11-16(2)12-18(26)4/h6-15H,5H2,1-4H3,(H2,30,32)(H,33,34).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-ethoxy-5-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-ethoxy-5-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 550.61 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-ethoxy-5-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121251466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).