N-[(6-amino-2-pyridinyl)sulfonyl]-2-[2,2-dimethyl-4-(trifluoromethyl)pyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylsulfonyl)pyridine-3-carboxamide

C88H112F5N15O16S3 — CID 159058337

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-[2,2-dimethyl-4-(trifluoromethyl)pyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylsulfonyl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[2,2-dimethyl-4-(trifluoromethyl)pyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylsulfonyl)pyridine-3-carboxamide (PubChem CID 159058337) has the molecular formula C88H112F5N15O16S3 and a molecular weight of 1827.14 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[2,2-dimethyl-4-(trifluoromethyl)pyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-[2,2-dimethyl-4-(trifluoromethyl)pyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylsulfonyl)pyridine-3-carboxamide
• PubChem CID: 159058337
• Molecular Formula: C88H112F5N15O16S3
• Molecular Weight: 1827.14 g/mol
• Exact Mass: 1825.75
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-[2,2-dimethyl-4-(trifluoromethyl)pyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylsulfonyl)pyridine-3-carboxamide
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)N3CC4CC3CO4)c(N3CCCC3(C)C)n2)c1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(C(F)(F)F)CC3(C)C)n2)c1.Cc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)cnc1OCCOCCOCCOC(C)C
• InChI: InChI=1S/C33H46N6O7S.C28H31F4N5O4S.C27H35FN4O5S/c1-22(2)45-16-14-43-12-13-44-15-17-46-32-24(4)18-25(20-35-32)27-11-10-26(30(36-27)39-21-23(3)19-33(39,5)6)31(40)38-47(41,42)29-9-7-8-28(34)37-29;1-16(2)15-41-20-11-17(10-19(29)12-20)22-9-8-21(26(38)36-42(39,40)24-7-5-6-23(33)35-24)25(34-22)37-14-18(28(30,31)32)13-27(37,3)4;1-17(2)15-36-21-11-18(10-19(28)12-21)24-7-6-23(25(29-24)31-9-5-8-27(31,3)4)26(33)30-38(34,35)32-14-22-13-20(32)16-37-22/h7-11,18,20,22-23H,12-17,19,21H2,1-6H3,(H2,34,37)(H,38,40);5-12,16,18H,13-15H2,1-4H3,(H2,33,35)(H,36,38);6-7,10-12,17,20,22H,5,8-9,13-16H2,1-4H3,(H,30,33)/t23-;;/m0../s1
• InChIKey: JYDKFCCKHQMAMV-IFUPQEAVSA-N
• XLogP: 12.94
• TPSA: 396.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 32
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1827.14
LogP ≤ 5	12.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[2,2-dimethyl-4-(trifluoromethyl)pyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylsulfonyl)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[2,2-dimethyl-4-(trifluoromethyl)pyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylsulfonyl)pyridine-3-carboxamide (CID 159058337) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[2,2-dimethyl-4-(trifluoromethyl)pyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylsulfonyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[2,2-dimethyl-4-(trifluoromethyl)pyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylsulfonyl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[2,2-dimethyl-4-(trifluoromethyl)pyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylsulfonyl)pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)N3CC4CC3CO4)c(N3CCCC3(C)C)n2)c1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(C(F)(F)F)CC3(C)C)n2)c1.Cc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)cnc1OCCOCCOCCOC(C)C.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[2,2-dimethyl-4-(trifluoromethyl)pyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylsulfonyl)pyridine-3-carboxamide?

The InChIKey is JYDKFCCKHQMAMV-IFUPQEAVSA-N. The full InChI is InChI=1S/C33H46N6O7S.C28H31F4N5O4S.C27H35FN4O5S/c1-22(2)45-16-14-43-12-13-44-15-17-46-32-24(4)18-25(20-35-32)27-11-10-26(30(36-27)39-21-23(3)19-33(39,5)6)31(40)38-47(41,42)29-9-7-8-28(34)37-29;1-16(2)15-41-20-11-17(10-19(29)12-20)22-9-8-21(26(38)36-42(39,40)24-7-5-6-23(33)35-24)25(34-22)37-14-18(28(30,31)32)13-27(37,3)4;1-17(2)15-36-21-11-18(10-19(28)12-21)24-7-6-23(25(29-24)31-9-5-8-27(31,3)4)26(33)30-38(34,35)32-14-22-13-20(32)16-37-22/h7-11,18,20,22-23H,12-17,19,21H2,1-6H3,(H2,34,37)(H,38,40);5-12,16,18H,13-15H2,1-4H3,(H2,33,35)(H,36,38);6-7,10-12,17,20,22H,5,8-9,13-16H2,1-4H3,(H,30,33)/t23-;;/m0../s1.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[2,2-dimethyl-4-(trifluoromethyl)pyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylsulfonyl)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[2,2-dimethyl-4-(trifluoromethyl)pyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylsulfonyl)pyridine-3-carboxamide has a molecular weight of 1827.14 g/mol, XLogP of 12.94, 32 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[2,2-dimethyl-4-(trifluoromethyl)pyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 159058337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).