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

C26H24FN5O5S — CID 121251472

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(5-fluoro-2-methoxy-4-pyridinyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCOc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(Oc3c(C)cc(C)cc3C)n2)c(F)cn1
InChIInChI=1S/C26H24FN5O5S/c1-14-10-15(2)24(16(3)11-14)37-26-17(25(33)32-38(34,35)23-7-5-6-21(28)31-23)8-9-20(30-26)18-12-22(36-4)29-13-19(18)27/h5-13H,1-4H3,(H2,28,31)(H,32,33)
InChIKeyHLHDDLZSQGQRRJ-UHFFFAOYSA-N
MW537.57 g/mol
LogP4.10
Rot. Bonds7

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(5-fluoro-2-methoxy-4-pyridinyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121251472) has the molecular formula C26H24FN5O5S and a molecular weight of 537.57 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(5-fluoro-2-methoxy-4-pyridinyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(5-fluoro-2-methoxy-4-pyridinyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121251472
Molecular FormulaC26H24FN5O5S
Molecular Weight537.57 g/mol
Exact Mass537.15
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(5-fluoro-2-methoxy-4-pyridinyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCOc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(Oc3c(C)cc(C)cc3C)n2)c(F)cn1
InChIInChI=1S/C26H24FN5O5S/c1-14-10-15(2)24(16(3)11-14)37-26-17(25(33)32-38(34,35)23-7-5-6-21(28)31-23)8-9-20(30-26)18-12-22(36-4)29-13-19(18)27/h5-13H,1-4H3,(H2,28,31)(H,32,33)
InChIKeyHLHDDLZSQGQRRJ-UHFFFAOYSA-N
XLogP4.10
TPSA146.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.57
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

[4-Amino-2-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
CID 58880217
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]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250438
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)pyridine-3-carboxamide
CID 121250445
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250458
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]-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-(6-propan-2-yloxypyridin-3-yl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250496
N-(6-aminopyridin-2-yl)sulfonyl-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250503

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(5-fluoro-2-methoxy-4-pyridinyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(5-fluoro-2-methoxy-4-pyridinyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121251472) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(5-fluoro-2-methoxy-4-pyridinyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(5-fluoro-2-methoxy-4-pyridinyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(5-fluoro-2-methoxy-4-pyridinyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is COc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(Oc3c(C)cc(C)cc3C)n2)c(F)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(5-fluoro-2-methoxy-4-pyridinyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is HLHDDLZSQGQRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O5S/c1-14-10-15(2)24(16(3)11-14)37-26-17(25(33)32-38(34,35)23-7-5-6-21(28)31-23)8-9-20(30-26)18-12-22(36-4)29-13-19(18)27/h5-13H,1-4H3,(H2,28,31)(H,32,33).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(5-fluoro-2-methoxy-4-pyridinyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(5-fluoro-2-methoxy-4-pyridinyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 537.57 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(5-fluoro-2-methoxy-4-pyridinyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121251472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).