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

C27H25FN4O5S — CID 121251439

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-fluoro-3-methoxyphenyl)-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)ccc1F
InChIInChI=1S/C27H25FN4O5S/c1-15-12-16(2)25(17(3)13-15)37-27-19(26(33)32-38(34,35)24-7-5-6-23(29)31-24)9-11-21(30-27)18-8-10-20(28)22(14-18)36-4/h5-14H,1-4H3,(H2,29,31)(H,32,33)
InChIKeyLCWRXZXJXQVFEN-UHFFFAOYSA-N
MW536.59 g/mol
LogP4.71
Rot. Bonds7

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-fluoro-3-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121251439) has the molecular formula C27H25FN4O5S and a molecular weight of 536.59 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-fluoro-3-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-fluoro-3-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121251439
Molecular FormulaC27H25FN4O5S
Molecular Weight536.59 g/mol
Exact Mass536.15
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-fluoro-3-methoxyphenyl)-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)ccc1F
InChIInChI=1S/C27H25FN4O5S/c1-15-12-16(2)25(17(3)13-15)37-27-19(26(33)32-38(34,35)24-7-5-6-23(29)31-24)9-11-21(30-27)18-8-10-20(28)22(14-18)36-4/h5-14H,1-4H3,(H2,29,31)(H,32,33)
InChIKeyLCWRXZXJXQVFEN-UHFFFAOYSA-N
XLogP4.71
TPSA133.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.59
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-fluoro-3-methoxyphenyl)-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-(4-fluoro-3-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-fluoro-3-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121251439) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-fluoro-3-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-fluoro-3-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-fluoro-3-methoxyphenyl)-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)ccc1F.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-fluoro-3-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is LCWRXZXJXQVFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O5S/c1-15-12-16(2)25(17(3)13-15)37-27-19(26(33)32-38(34,35)24-7-5-6-23(29)31-24)9-11-21(30-27)18-8-10-20(28)22(14-18)36-4/h5-14H,1-4H3,(H2,29,31)(H,32,33).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-fluoro-3-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-fluoro-3-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 536.59 g/mol, XLogP of 4.71, 7 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-(4-fluoro-3-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121251439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).