N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-5-methylhex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methylprop-1-enyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 4-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-2,3-dihydropyrrole-1-carboxylate

C107H146N22O16S4 — CID 162099241

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-5-methylhex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methylprop-1-enyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 4-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-2,3-dihydropyrrole-1-carboxylate

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-5-methylhex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methylprop-1-enyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 4-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-2,3-dihydropyrrole-1-carboxylate (PubChem CID 162099241) has the molecular formula C107H146N22O16S4 and a molecular weight of 2124.75 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-5-methylhex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methylprop-1-enyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 4-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-5-methylhex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methylprop-1-enyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 4-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-2,3-dihydropyrrole-1-carboxylate
• PubChem CID: 162099241
• Molecular Formula: C107H146N22O16S4
• Molecular Weight: 2124.75 g/mol
• Exact Mass: 2123.02
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-5-methylhex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methylprop-1-enyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 4-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-2,3-dihydropyrrole-1-carboxylate
• SMILES: CC(C)=Cc1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)n1.CC(C)CC/C=C/c1cc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)nc1C(C)(C)C.C[C@@H]1CN(c2nc(C3=CN(C(=O)OC(C)(C)C)CC3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cnc1OCCOC(C)C
• InChI: InChI=1S/C29H38N6O5S.C29H43N5O3S.C27H36N6O5S.C22H29N5O3S/c1-18(2)39-12-13-40-28-20(4)14-21(16-32-28)23-10-9-22(26(33-23)35-17-19(3)15-29(35,5)6)27(36)34-41(37,38)24-8-7-11-31-25(24)30;1-19(2)12-9-10-13-21-16-22(27(35)33-38(36,37)24-15-11-14-23(30)31-24)26(32-25(21)28(4,5)6)34-18-20(3)17-29(34,7)8;1-17-14-27(5,6)33(15-17)23-19(24(34)31-39(36,37)22-9-7-8-21(28)30-22)10-11-20(29-23)18-12-13-32(16-18)25(35)38-26(2,3)4;1-14(2)11-16-9-10-17(20(24-16)27-13-15(3)12-22(27,4)5)21(28)26-31(29,30)19-8-6-7-18(23)25-19/h7-11,14,16,18-19H,12-13,15,17H2,1-6H3,(H2,30,31)(H,34,36);10-11,13-16,19-20H,9,12,17-18H2,1-8H3,(H2,30,31)(H,33,35);7-11,16-17H,12-15H2,1-6H3,(H2,28,30)(H,31,34);6-11,15H,12-13H2,1-5H3,(H2,23,25)(H,26,28)/b;13-10+;;/t19-;20-;17-;15-/m0000/s1
• InChIKey: ZEQVTXNRFKBHSL-XRVNQWKRSA-N
• XLogP: 16.54
• TPSA: 534.01 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2124.75
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

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]-6-tert-butyl-5-[(E)-5-methylhex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methylprop-1-enyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 4-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-2,3-dihydropyrrole-1-carboxylate?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-5-methylhex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methylprop-1-enyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 4-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-2,3-dihydropyrrole-1-carboxylate (CID 162099241) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-5-methylhex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methylprop-1-enyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 4-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-2,3-dihydropyrrole-1-carboxylate.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-5-methylhex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methylprop-1-enyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 4-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-2,3-dihydropyrrole-1-carboxylate?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-5-methylhex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methylprop-1-enyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 4-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-2,3-dihydropyrrole-1-carboxylate is CC(C)=Cc1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)n1.CC(C)CC/C=C/c1cc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)nc1C(C)(C)C.C[C@@H]1CN(c2nc(C3=CN(C(=O)OC(C)(C)C)CC3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cnc1OCCOC(C)C.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-5-methylhex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methylprop-1-enyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 4-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-2,3-dihydropyrrole-1-carboxylate?

The InChIKey is ZEQVTXNRFKBHSL-XRVNQWKRSA-N. The full InChI is InChI=1S/C29H38N6O5S.C29H43N5O3S.C27H36N6O5S.C22H29N5O3S/c1-18(2)39-12-13-40-28-20(4)14-21(16-32-28)23-10-9-22(26(33-23)35-17-19(3)15-29(35,5)6)27(36)34-41(37,38)24-8-7-11-31-25(24)30;1-19(2)12-9-10-13-21-16-22(27(35)33-38(36,37)24-15-11-14-23(30)31-24)26(32-25(21)28(4,5)6)34-18-20(3)17-29(34,7)8;1-17-14-27(5,6)33(15-17)23-19(24(34)31-39(36,37)22-9-7-8-21(28)30-22)10-11-20(29-23)18-12-13-32(16-18)25(35)38-26(2,3)4;1-14(2)11-16-9-10-17(20(24-16)27-13-15(3)12-22(27,4)5)21(28)26-31(29,30)19-8-6-7-18(23)25-19/h7-11,14,16,18-19H,12-13,15,17H2,1-6H3,(H2,30,31)(H,34,36);10-11,13-16,19-20H,9,12,17-18H2,1-8H3,(H2,30,31)(H,33,35);7-11,16-17H,12-15H2,1-6H3,(H2,28,30)(H,31,34);6-11,15H,12-13H2,1-5H3,(H2,23,25)(H,26,28)/b;13-10+;;/t19-;20-;17-;15-/m0000/s1.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-5-methylhex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methylprop-1-enyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 4-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-2,3-dihydropyrrole-1-carboxylate?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-5-methylhex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methylprop-1-enyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 4-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 2124.75 g/mol, XLogP of 16.54, 28 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-5-methylhex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-propan-2-yloxyethoxy)-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-methylprop-1-enyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 4-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 162099241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).