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

C27H25FN4O4S — CID 121250526

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 Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• PubChem CID: 121250526
• Molecular Formula: C27H25FN4O4S
• Molecular Weight: 520.59 g/mol
• Exact Mass: 520.16
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• SMILES: Cc1cc(C)c(Oc2nc(-c3ccc(C)cc3F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
• InChI: 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)
• InChIKey: YHASXEQPGZHGCY-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 124.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.59
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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).