N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen

C₂₆H₂₆N₄O₅S — CID 160692651

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 160692651) has the molecular formula C₂₆H₂₆N₄O₅S and a molecular weight of 506.58 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 160692651
• Molecular Formula: C₂₆H₂₆N₄O₅S
• Molecular Weight: 506.58 g/mol
• Exact Mass: 506.16
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
• SMILES: Cc1cc(C)c(Oc2nc(-c3ccc(O)cc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1.[H][H]
• InChI: InChI=1S/C26H24N4O5S.H2/c1-15-13-16(2)24(17(3)14-15)35-26-20(11-12-21(28-26)18-7-9-19(31)10-8-18)25(32)30-36(33,34)23-6-4-5-22(27)29-23;/h4-14,31H,1-3H3,(H2,27,29)(H,30,32);1H
• InChIKey: RPPHZQWHOVZJFS-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 144.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.58
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen (CID 160692651) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen is Cc1cc(C)c(Oc2nc(-c3ccc(O)cc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1.[H][H].

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is RPPHZQWHOVZJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5S.H2/c1-15-13-16(2)24(17(3)14-15)35-26-20(11-12-21(28-26)18-7-9-19(31)10-8-18)25(32)30-36(33,34)23-6-4-5-22(27)29-23;/h4-14,31H,1-3H3,(H2,27,29)(H,30,32);1H.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 506.58 g/mol, XLogP of 4.51, 6 rotatable bonds, 3 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-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 160692651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160692651 — identifiers, structure, computed properties (public domain)

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