N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-ethenyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-hex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 5-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;N-[(5,6-dimethyl-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

C107H145N21O15S4 — CID 161494948

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-ethenyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-hex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 5-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;N-[(5,6-dimethyl-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-ethenyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-hex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 5-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;N-[(5,6-dimethyl-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 161494948) has the molecular formula C107H145N21O15S4 and a molecular weight of 2093.74 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-ethenyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-hex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 5-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;N-[(5,6-dimethyl-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-ethenyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-hex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 5-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;N-[(5,6-dimethyl-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
• PubChem CID: 161494948
• Molecular Formula: C107H145N21O15S4
• Molecular Weight: 2093.74 g/mol
• Exact Mass: 2092.01
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-ethenyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-hex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 5-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;N-[(5,6-dimethyl-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
• SMILES: C=Cc1cc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)nc1C(C)(C)C.CCCC/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=CCCN(C(=O)OC(C)(C)C)C3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1ccc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(OC(C)C)nc3)nc2N2[C@H](C)CC[C@@H]2C)nc1C
• InChI: InChI=1S/C28H38N6O5S.C28H41N5O3S.C27H33N5O4S.C24H33N5O3S/c1-18-15-28(5,6)34(16-18)24-20(25(35)32-40(37,38)23-11-7-10-22(29)31-23)12-13-21(30-24)19-9-8-14-33(17-19)26(36)39-27(2,3)4;1-8-9-10-11-13-20-16-21(26(34)32-37(35,36)23-15-12-14-22(29)30-23)25(31-24(20)27(3,4)5)33-18-19(2)17-28(33,6)7;1-16(2)36-24-13-10-21(15-28-24)23-12-11-22(26(30-23)32-18(4)8-9-19(32)5)27(33)31-37(34,35)25-14-7-17(3)20(6)29-25;1-8-16-12-17(22(30)28-33(31,32)19-11-9-10-18(25)26-19)21(27-20(16)23(3,4)5)29-14-15(2)13-24(29,6)7/h7,9-13,18H,8,14-17H2,1-6H3,(H2,29,31)(H,32,35);11-16,19H,8-10,17-18H2,1-7H3,(H2,29,30)(H,32,34);7,10-16,18-19H,8-9H2,1-6H3,(H,31,33);8-12,15H,1,13-14H2,2-7H3,(H2,25,26)(H,28,30)/b;13-11+;;/t18-;19-;18-,19+;15-/m00.0/s1
• InChIKey: WGBONLVREJULKJ-WMKNRSGHSA-N
• XLogP: 17.31
• TPSA: 498.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2093.74
LogP ≤ 5	17.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

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-ethenyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-hex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 5-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;N-[(5,6-dimethyl-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-ethenyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-hex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 5-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;N-[(5,6-dimethyl-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (CID 161494948) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-ethenyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-hex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 5-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;N-[(5,6-dimethyl-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-ethenyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-hex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 5-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;N-[(5,6-dimethyl-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-ethenyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-hex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 5-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;N-[(5,6-dimethyl-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is C=Cc1cc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)nc1C(C)(C)C.CCCC/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=CCCN(C(=O)OC(C)(C)C)C3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1ccc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(OC(C)C)nc3)nc2N2[C@H](C)CC[C@@H]2C)nc1C.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-ethenyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-hex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 5-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;N-[(5,6-dimethyl-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?

The InChIKey is WGBONLVREJULKJ-WMKNRSGHSA-N. The full InChI is InChI=1S/C28H38N6O5S.C28H41N5O3S.C27H33N5O4S.C24H33N5O3S/c1-18-15-28(5,6)34(16-18)24-20(25(35)32-40(37,38)23-11-7-10-22(29)31-23)12-13-21(30-24)19-9-8-14-33(17-19)26(36)39-27(2,3)4;1-8-9-10-11-13-20-16-21(26(34)32-37(35,36)23-15-12-14-22(29)30-23)25(31-24(20)27(3,4)5)33-18-19(2)17-28(33,6)7;1-16(2)36-24-13-10-21(15-28-24)23-12-11-22(26(30-23)32-18(4)8-9-19(32)5)27(33)31-37(34,35)25-14-7-17(3)20(6)29-25;1-8-16-12-17(22(30)28-33(31,32)19-11-9-10-18(25)26-19)21(27-20(16)23(3,4)5)29-14-15(2)13-24(29,6)7/h7,9-13,18H,8,14-17H2,1-6H3,(H2,29,31)(H,32,35);11-16,19H,8-10,17-18H2,1-7H3,(H2,29,30)(H,32,34);7,10-16,18-19H,8-9H2,1-6H3,(H,31,33);8-12,15H,1,13-14H2,2-7H3,(H2,25,26)(H,28,30)/b;13-11+;;/t18-;19-;18-,19+;15-/m00.0/s1.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-ethenyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-hex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 5-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;N-[(5,6-dimethyl-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-ethenyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-hex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 5-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;N-[(5,6-dimethyl-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 2093.74 g/mol, XLogP of 17.31, 25 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-ethenyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-hex-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;tert-butyl 5-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;N-[(5,6-dimethyl-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 161494948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).