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

C27H25FN4O4S — CID 121250526

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(-c3ccc(C)cc3F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C27H25FN4O4S/c1-15-8-9-19(21(28)14-15)22-11-10-20(26(33)32-37(34,35)24-7-5-6-23(29)31-24)27(30-22)36-25-17(3)12-16(2)13-18(25)4/h5-14H,1-4H3,(H2,29,31)(H,32,33)
InChIKeyYHASXEQPGZHGCY-UHFFFAOYSA-N
MW520.59 g/mol
LogP5.01
Rot. Bonds6

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121250526) has the molecular formula C27H25FN4O4S and a molecular weight of 520.59 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121250526
Molecular FormulaC27H25FN4O4S
Molecular Weight520.59 g/mol
Exact Mass520.16
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(-c3ccc(C)cc3F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C27H25FN4O4S/c1-15-8-9-19(21(28)14-15)22-11-10-20(26(33)32-37(34,35)24-7-5-6-23(29)31-24)27(30-22)36-25-17(3)12-16(2)13-18(25)4/h5-14H,1-4H3,(H2,29,31)(H,32,33)
InChIKeyYHASXEQPGZHGCY-UHFFFAOYSA-N
XLogP5.01
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.59
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121250526) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3ccc(C)cc3F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is YHASXEQPGZHGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O4S/c1-15-8-9-19(21(28)14-15)22-11-10-20(26(33)32-37(34,35)24-7-5-6-23(29)31-24)27(30-22)36-25-17(3)12-16(2)13-18(25)4/h5-14H,1-4H3,(H2,29,31)(H,32,33).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 520.59 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121250526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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