6-(1-acetylpiperidin-4-yl)-N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopentylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C103H139N21O13S4 — CID 161083316

About 6-(1-acetylpiperidin-4-yl)-N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopentylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

6-(1-acetylpiperidin-4-yl)-N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopentylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 161083316) has the molecular formula C103H139N21O13S4 and a molecular weight of 2007.65 g/mol. Its IUPAC name is 6-(1-acetylpiperidin-4-yl)-N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopentylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(1-acetylpiperidin-4-yl)-N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopentylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 161083316
• Molecular Formula: C103H139N21O13S4
• Molecular Weight: 2007.65 g/mol
• Exact Mass: 2005.97
• IUPAC Name: 6-(1-acetylpiperidin-4-yl)-N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopentylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: CC(=O)N1CCC(c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)CC1.CC1(C)CN(c2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(C(C)(C)C)c(/C=C/C3CCCC3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)c1
• InChI: InChI=1S/C29H41N5O3S.C26H31N5O3S.C25H34N6O4S.C23H33N5O3S/c1-19-17-29(5,6)34(18-19)26-22(27(35)33-38(36,37)24-13-9-12-23(30)31-24)16-21(25(32-26)28(2,3)4)15-14-20-10-7-8-11-20;1-16-11-17(2)13-19(12-16)21-10-9-20(24(28-21)31-15-18(3)14-26(31,4)5)25(32)30-35(33,34)23-8-6-7-22(27)29-23;1-16-14-25(3,4)31(15-16)23-19(24(33)29-36(34,35)22-7-5-6-21(26)28-22)8-9-20(27-23)18-10-12-30(13-11-18)17(2)32;1-21(2,3)16-12-11-15(19(25-16)28-14-22(4,5)13-23(28,6)7)20(29)27-32(30,31)18-10-8-9-17(24)26-18/h9,12-16,19-20H,7-8,10-11,17-18H2,1-6H3,(H2,30,31)(H,33,35);6-13,18H,14-15H2,1-5H3,(H2,27,29)(H,30,32);5-9,16,18H,10-15H2,1-4H3,(H2,26,28)(H,29,33);8-12H,13-14H2,1-7H3,(H2,24,26)(H,27,29)/b15-14+;;;/t19-;18-;16-;/m000./s1
• InChIKey: UGEMDYIATXQVAO-QANOWRDPSA-N
• XLogP: 15.41
• TPSA: 493.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2007.65
LogP ≤ 5	15.41
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 6-(1-acetylpiperidin-4-yl)-N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopentylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 6-(1-acetylpiperidin-4-yl)-N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopentylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 161083316) is 6-(1-acetylpiperidin-4-yl)-N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopentylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(1-acetylpiperidin-4-yl)-N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopentylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-(1-acetylpiperidin-4-yl)-N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopentylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CC(=O)N1CCC(c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)CC1.CC1(C)CN(c2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(C(C)(C)C)c(/C=C/C3CCCC3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)c1.

What is the InChIKey of 6-(1-acetylpiperidin-4-yl)-N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopentylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is UGEMDYIATXQVAO-QANOWRDPSA-N. The full InChI is InChI=1S/C29H41N5O3S.C26H31N5O3S.C25H34N6O4S.C23H33N5O3S/c1-19-17-29(5,6)34(18-19)26-22(27(35)33-38(36,37)24-13-9-12-23(30)31-24)16-21(25(32-26)28(2,3)4)15-14-20-10-7-8-11-20;1-16-11-17(2)13-19(12-16)21-10-9-20(24(28-21)31-15-18(3)14-26(31,4)5)25(32)30-35(33,34)23-8-6-7-22(27)29-23;1-16-14-25(3,4)31(15-16)23-19(24(33)29-36(34,35)22-7-5-6-21(26)28-22)8-9-20(27-23)18-10-12-30(13-11-18)17(2)32;1-21(2,3)16-12-11-15(19(25-16)28-14-22(4,5)13-23(28,6)7)20(29)27-32(30,31)18-10-8-9-17(24)26-18/h9,12-16,19-20H,7-8,10-11,17-18H2,1-6H3,(H2,30,31)(H,33,35);6-13,18H,14-15H2,1-5H3,(H2,27,29)(H,30,32);5-9,16,18H,10-15H2,1-4H3,(H2,26,28)(H,29,33);8-12H,13-14H2,1-7H3,(H2,24,26)(H,27,29)/b15-14+;;;/t19-;18-;16-;/m000./s1.

What are the key properties of 6-(1-acetylpiperidin-4-yl)-N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopentylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

6-(1-acetylpiperidin-4-yl)-N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopentylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 2007.65 g/mol, XLogP of 15.41, 20 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-acetylpiperidin-4-yl)-N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopentylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 161083316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).