N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-(4-methylpentan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;N-(3-aminopyrrolidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C111H149FN22O16S4 — CID 158388513

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-(4-methylpentan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;N-(3-aminopyrrolidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-(4-methylpentan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;N-(3-aminopyrrolidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 158388513) has the molecular formula C111H149FN22O16S4 and a molecular weight of 2194.82 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-(4-methylpentan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;N-(3-aminopyrrolidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-(4-methylpentan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;N-(3-aminopyrrolidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 158388513
• Molecular Formula: C111H149FN22O16S4
• Molecular Weight: 2194.82 g/mol
• Exact Mass: 2193.04
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-(4-methylpentan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;N-(3-aminopyrrolidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC(C)CC(C)Nc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3[C@H](C)CC[C@@H]3C)n2)cn1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)N3CCC(N)C3)c(N3CC(C)CC3(C)C)n2)c1.CC1CN(c2nc(C(C)(C)C)c(C3=CCCC4(C3)OCCO4)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(C3=CC(C)(C)CCC3=O)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
• InChI: InChI=1S/C30H41N5O5S.C28H37N7O3S.C27H38FN5O4S.C26H33N5O4S/c1-19-16-29(5,6)35(18-19)26-22(27(36)34-41(37,38)24-11-7-10-23(31)32-24)15-21(25(33-26)28(2,3)4)20-9-8-12-30(17-20)39-13-14-40-30;1-17(2)15-18(3)31-25-14-11-21(16-30-25)23-13-12-22(27(32-23)35-19(4)9-10-20(35)5)28(36)34-39(37,38)26-8-6-7-24(29)33-26;1-17(2)16-37-22-11-19(10-20(28)12-22)24-7-6-23(25(30-24)33-14-18(3)13-27(33,4)5)26(34)31-38(35,36)32-9-8-21(29)15-32;1-16-13-26(4,5)31(15-16)23-17(24(33)30-36(34,35)22-8-6-7-21(27)29-22)9-10-19(28-23)18-14-25(2,3)12-11-20(18)32/h7,9-11,15,19H,8,12-14,16-18H2,1-6H3,(H2,31,32)(H,34,36);6-8,11-14,16-20H,9-10,15H2,1-5H3,(H2,29,33)(H,30,31)(H,34,36);6-7,10-12,17-18,21H,8-9,13-16,29H2,1-5H3,(H,31,34);6-10,14,16H,11-13,15H2,1-5H3,(H2,27,29)(H,30,33)/t;18?,19-,20+;;16-/m...0/s1
• InChIKey: GWQRSSRLBHZKFM-LVMNYODNSA-N
• XLogP: 16.00
• TPSA: 533.15 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2194.82
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-(4-methylpentan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;N-(3-aminopyrrolidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-(4-methylpentan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;N-(3-aminopyrrolidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 158388513) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-(4-methylpentan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;N-(3-aminopyrrolidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-(4-methylpentan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;N-(3-aminopyrrolidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-(4-methylpentan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;N-(3-aminopyrrolidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC(C)CC(C)Nc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3[C@H](C)CC[C@@H]3C)n2)cn1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)N3CCC(N)C3)c(N3CC(C)CC3(C)C)n2)c1.CC1CN(c2nc(C(C)(C)C)c(C3=CCCC4(C3)OCCO4)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(C3=CC(C)(C)CCC3=O)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-(4-methylpentan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;N-(3-aminopyrrolidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is GWQRSSRLBHZKFM-LVMNYODNSA-N. The full InChI is InChI=1S/C30H41N5O5S.C28H37N7O3S.C27H38FN5O4S.C26H33N5O4S/c1-19-16-29(5,6)35(18-19)26-22(27(36)34-41(37,38)24-11-7-10-23(31)32-24)15-21(25(33-26)28(2,3)4)20-9-8-12-30(17-20)39-13-14-40-30;1-17(2)15-18(3)31-25-14-11-21(16-30-25)23-13-12-22(27(32-23)35-19(4)9-10-20(35)5)28(36)34-39(37,38)26-8-6-7-24(29)33-26;1-17(2)16-37-22-11-19(10-20(28)12-22)24-7-6-23(25(30-24)33-14-18(3)13-27(33,4)5)26(34)31-38(35,36)32-9-8-21(29)15-32;1-16-13-26(4,5)31(15-16)23-17(24(33)30-36(34,35)22-8-6-7-21(27)29-22)9-10-19(28-23)18-14-25(2,3)12-11-20(18)32/h7,9-11,15,19H,8,12-14,16-18H2,1-6H3,(H2,31,32)(H,34,36);6-8,11-14,16-20H,9-10,15H2,1-5H3,(H2,29,33)(H,30,31)(H,34,36);6-7,10-12,17-18,21H,8-9,13-16,29H2,1-5H3,(H,31,34);6-10,14,16H,11-13,15H2,1-5H3,(H2,27,29)(H,30,33)/t;18?,19-,20+;;16-/m...0/s1.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-(4-methylpentan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;N-(3-aminopyrrolidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-(4-methylpentan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;N-(3-aminopyrrolidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 2194.82 g/mol, XLogP of 16.00, 27 rotatable bonds, 9 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-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,3-dimethyl-6-oxocyclohexen-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-(4-methylpentan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;N-(3-aminopyrrolidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 158388513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).