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

C26H23FN4O5S — CID 121251259

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(-c3cc(O)cc(F)c3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C26H23FN4O5S/c1-14-9-15(2)24(16(3)10-14)36-26-20(7-8-21(29-26)17-11-18(27)13-19(32)12-17)25(33)31-37(34,35)23-6-4-5-22(28)30-23/h4-13,32H,1-3H3,(H2,28,30)(H,31,33)
InChIKeyASJZNPSOFZPXFU-UHFFFAOYSA-N
MW522.56 g/mol
LogP4.41
Rot. Bonds6

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121251259) has the molecular formula C26H23FN4O5S and a molecular weight of 522.56 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121251259
Molecular FormulaC26H23FN4O5S
Molecular Weight522.56 g/mol
Exact Mass522.14
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(-c3cc(O)cc(F)c3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C26H23FN4O5S/c1-14-9-15(2)24(16(3)10-14)36-26-20(7-8-21(29-26)17-11-18(27)13-19(32)12-17)25(33)31-37(34,35)23-6-4-5-22(28)30-23/h4-13,32H,1-3H3,(H2,28,30)(H,31,33)
InChIKeyASJZNPSOFZPXFU-UHFFFAOYSA-N
XLogP4.41
TPSA144.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.56
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121251259) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3cc(O)cc(F)c3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is ASJZNPSOFZPXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O5S/c1-14-9-15(2)24(16(3)10-14)36-26-20(7-8-21(29-26)17-11-18(27)13-19(32)12-17)25(33)31-37(34,35)23-6-4-5-22(28)30-23/h4-13,32H,1-3H3,(H2,28,30)(H,31,33).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 522.56 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 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-fluoro-5-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121251259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).