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

C27H25FN4O5S — CID 121251059

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121251059) 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-(2-fluoro-6-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• PubChem CID: 121251059
• Molecular Formula: C27H25FN4O5S
• Molecular Weight: 536.59 g/mol
• Exact Mass: 536.15
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• SMILES: COc1cccc(F)c1-c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(Oc2c(C)cc(C)cc2C)n1
• InChI: InChI=1S/C27H25FN4O5S/c1-15-13-16(2)25(17(3)14-15)37-27-18(26(33)32-38(34,35)23-10-6-9-22(29)31-23)11-12-20(30-27)24-19(28)7-5-8-21(24)36-4/h5-14H,1-4H3,(H2,29,31)(H,32,33)
• InChIKey: OBBADWMQQSESIJ-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 133.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.59
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121251059) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is COc1cccc(F)c1-c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(Oc2c(C)cc(C)cc2C)n1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The InChIKey is OBBADWMQQSESIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O5S/c1-15-13-16(2)25(17(3)14-15)37-27-18(26(33)32-38(34,35)23-10-6-9-22(29)31-23)11-12-20(30-27)24-19(28)7-5-8-21(24)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-(2-fluoro-6-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-6-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-(2-fluoro-6-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121251059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).