N-(3-acetamidopiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-5-phenylmethoxy-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]-5-(3-methylbut-2-en-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-fluoro-5-(2-hydroxy-2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C114H143F2N19O18S4 — CID 158029465

About N-(3-acetamidopiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-5-phenylmethoxy-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]-5-(3-methylbut-2-en-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-fluoro-5-(2-hydroxy-2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-(3-acetamidopiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-5-phenylmethoxy-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]-5-(3-methylbut-2-en-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-fluoro-5-(2-hydroxy-2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 158029465) has the molecular formula C114H143F2N19O18S4 and a molecular weight of 2233.78 g/mol. Its IUPAC name is N-(3-acetamidopiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-5-phenylmethoxy-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]-5-(3-methylbut-2-en-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-fluoro-5-(2-hydroxy-2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-acetamidopiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-5-phenylmethoxy-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]-5-(3-methylbut-2-en-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-fluoro-5-(2-hydroxy-2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 158029465
• Molecular Formula: C114H143F2N19O18S4
• Molecular Weight: 2233.78 g/mol
• Exact Mass: 2231.97
• IUPAC Name: N-(3-acetamidopiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-5-phenylmethoxy-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]-5-(3-methylbut-2-en-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-fluoro-5-(2-hydroxy-2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: CC(=O)NC1CCCN(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2N2CC(C)CC2(C)C)C1.CC(C)=C(C)c1cnc(N2CC(C)CC2(C)C)c(C(=O)NS(=O)(=O)c2cccc(N)n2)c1.CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc(OCc4ccccc4)c(N)n3)c(N3[C@H](C)CC[C@@H]3C)n2)cn1.C[C@@H]1CN(c2nc(-c3cc(F)cc(OCC(C)(C)O)c3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1
• InChI: InChI=1S/C32H36N6O5S.C30H42FN5O5S.C29H34FN3O5S.C23H31N5O3S/c1-20(2)43-28-16-12-24(18-34-28)26-14-13-25(31(35-26)38-21(3)10-11-22(38)4)32(39)37-44(40,41)29-17-15-27(30(33)36-29)42-19-23-8-6-5-7-9-23;1-19(2)18-41-25-13-22(12-23(31)14-25)27-10-9-26(28(33-27)36-16-20(3)15-30(36,5)6)29(38)34-42(39,40)35-11-7-8-24(17-35)32-21(4)37;1-19-16-28(2,3)33(17-19)26-24(27(34)32-39(36,37)23-9-7-6-8-10-23)11-12-25(31-26)20-13-21(30)15-22(14-20)38-18-29(4,5)35;1-14(2)16(4)17-10-18(21(25-12-17)28-13-15(3)11-23(28,5)6)22(29)27-32(30,31)20-9-7-8-19(24)26-20/h5-9,12-18,20-22H,10-11,19H2,1-4H3,(H2,33,36)(H,37,39);9-10,12-14,19-20,24H,7-8,11,15-18H2,1-6H3,(H,32,37)(H,34,38);6-15,19,35H,16-18H2,1-5H3,(H,32,34);7-10,12,15H,11,13H2,1-6H3,(H2,24,26)(H,27,29)/t21-,22+;;19-;/m..0./s1
• InChIKey: FGZUMMJKLHLABJ-JQCPWVDMSA-N
• XLogP: 17.50
• TPSA: 497.68 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2233.78
LogP ≤ 5	17.50
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-5-phenylmethoxy-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]-5-(3-methylbut-2-en-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-fluoro-5-(2-hydroxy-2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-(3-acetamidopiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-5-phenylmethoxy-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]-5-(3-methylbut-2-en-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-fluoro-5-(2-hydroxy-2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 158029465) is N-(3-acetamidopiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-5-phenylmethoxy-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]-5-(3-methylbut-2-en-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-fluoro-5-(2-hydroxy-2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(3-acetamidopiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-5-phenylmethoxy-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]-5-(3-methylbut-2-en-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-fluoro-5-(2-hydroxy-2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(3-acetamidopiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-5-phenylmethoxy-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]-5-(3-methylbut-2-en-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-fluoro-5-(2-hydroxy-2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CC(=O)NC1CCCN(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2N2CC(C)CC2(C)C)C1.CC(C)=C(C)c1cnc(N2CC(C)CC2(C)C)c(C(=O)NS(=O)(=O)c2cccc(N)n2)c1.CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc(OCc4ccccc4)c(N)n3)c(N3[C@H](C)CC[C@@H]3C)n2)cn1.C[C@@H]1CN(c2nc(-c3cc(F)cc(OCC(C)(C)O)c3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1.

What is the InChIKey of N-(3-acetamidopiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-5-phenylmethoxy-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]-5-(3-methylbut-2-en-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-fluoro-5-(2-hydroxy-2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is FGZUMMJKLHLABJ-JQCPWVDMSA-N. The full InChI is InChI=1S/C32H36N6O5S.C30H42FN5O5S.C29H34FN3O5S.C23H31N5O3S/c1-20(2)43-28-16-12-24(18-34-28)26-14-13-25(31(35-26)38-21(3)10-11-22(38)4)32(39)37-44(40,41)29-17-15-27(30(33)36-29)42-19-23-8-6-5-7-9-23;1-19(2)18-41-25-13-22(12-23(31)14-25)27-10-9-26(28(33-27)36-16-20(3)15-30(36,5)6)29(38)34-42(39,40)35-11-7-8-24(17-35)32-21(4)37;1-19-16-28(2,3)33(17-19)26-24(27(34)32-39(36,37)23-9-7-6-8-10-23)11-12-25(31-26)20-13-21(30)15-22(14-20)38-18-29(4,5)35;1-14(2)16(4)17-10-18(21(25-12-17)28-13-15(3)11-23(28,5)6)22(29)27-32(30,31)20-9-7-8-19(24)26-20/h5-9,12-18,20-22H,10-11,19H2,1-4H3,(H2,33,36)(H,37,39);9-10,12-14,19-20,24H,7-8,11,15-18H2,1-6H3,(H,32,37)(H,34,38);6-15,19,35H,16-18H2,1-5H3,(H,32,34);7-10,12,15H,11,13H2,1-6H3,(H2,24,26)(H,27,29)/t21-,22+;;19-;/m..0./s1.

What are the key properties of N-(3-acetamidopiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-5-phenylmethoxy-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]-5-(3-methylbut-2-en-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-fluoro-5-(2-hydroxy-2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

N-(3-acetamidopiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-5-phenylmethoxy-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]-5-(3-methylbut-2-en-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-fluoro-5-(2-hydroxy-2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 2233.78 g/mol, XLogP of 17.50, 32 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetamidopiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-5-phenylmethoxy-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]-5-(3-methylbut-2-en-2-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-fluoro-5-(2-hydroxy-2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 158029465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).