N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide;6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide

C44H46FN7O6S2 — CID 158337359

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide;6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide;6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 158337359) has the molecular formula C44H46FN7O6S2 and a molecular weight of 852.03 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide;6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide;6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide
• PubChem CID: 158337359
• Molecular Formula: C44H46FN7O6S2
• Molecular Weight: 852.03 g/mol
• Exact Mass: 851.29
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide;6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(F)n2)cc1.Cc1ccc(-c2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)cc1
• InChI: InChI=1S/C22H22FN3O3S.C22H24N4O3S/c2*1-14-8-10-15(11-9-14)20-16(12-13-17(24-20)22(2,3)4)21(27)26-30(28,29)19-7-5-6-18(23)25-19/h5-13H,1-4H3,(H,26,27);5-13H,1-4H3,(H2,23,25)(H,26,27)
• InChIKey: GQTAKWQECRPLQT-UHFFFAOYSA-N
• XLogP: 7.46
• TPSA: 204.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	852.03
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide;6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide;6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide (CID 158337359) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide;6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide;6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide;6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(-c2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(F)n2)cc1.Cc1ccc(-c2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)cc1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide;6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide?

The InChIKey is GQTAKWQECRPLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3S.C22H24N4O3S/c2*1-14-8-10-15(11-9-14)20-16(12-13-17(24-20)22(2,3)4)21(27)26-30(28,29)19-7-5-6-18(23)25-19/h5-13H,1-4H3,(H,26,27);5-13H,1-4H3,(H2,23,25)(H,26,27).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide;6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide;6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 852.03 g/mol, XLogP of 7.46, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide;6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 158337359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).