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

C₂₇H₃₂N₄O₅S — CID 121251956

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121251956) has the molecular formula C₂₇H₃₂N₄O₅S and a molecular weight of 524.64 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• PubChem CID: 121251956
• Molecular Formula: C₂₇H₃₂N₄O₅S
• Molecular Weight: 524.64 g/mol
• Exact Mass: 524.21
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• SMILES: Cc1cc(C)c(Oc2nc(C3CCOC(C)(C)C3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
• InChI: InChI=1S/C27H32N4O5S/c1-16-13-17(2)24(18(3)14-16)36-26-20(9-10-21(29-26)19-11-12-35-27(4,5)15-19)25(32)31-37(33,34)23-8-6-7-22(28)30-23/h6-10,13-14,19H,11-12,15H2,1-5H3,(H2,28,30)(H,31,32)
• InChIKey: RSGLAOPVQYDSIA-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 133.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.64
LogP ≤ 5	4.57
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-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121251956) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(C3CCOC(C)(C)C3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1.

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

The InChIKey is RSGLAOPVQYDSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5S/c1-16-13-17(2)24(18(3)14-16)36-26-20(9-10-21(29-26)19-11-12-35-27(4,5)15-19)25(32)31-37(33,34)23-8-6-7-22(28)30-23/h6-10,13-14,19H,11-12,15H2,1-5H3,(H2,28,30)(H,31,32).

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 524.64 g/mol, XLogP of 4.57, 6 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-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121251956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121251956 — identifiers, structure, computed properties (public domain)

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