N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-6-[(3S)-oxolan-3-yl]oxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(1-methylcycloheptyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen;N-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C71H94F4N14O12S3 — CID 160568321

About N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-6-[(3S)-oxolan-3-yl]oxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(1-methylcycloheptyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen;N-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-6-[(3S)-oxolan-3-yl]oxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(1-methylcycloheptyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen;N-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 160568321) has the molecular formula C71H94F4N14O12S3 and a molecular weight of 1507.81 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-6-[(3S)-oxolan-3-yl]oxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(1-methylcycloheptyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen;N-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-6-[(3S)-oxolan-3-yl]oxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(1-methylcycloheptyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen;N-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 160568321
• Molecular Formula: C71H94F4N14O12S3
• Molecular Weight: 1507.81 g/mol
• Exact Mass: 1506.63
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-6-[(3S)-oxolan-3-yl]oxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(1-methylcycloheptyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen;N-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCCC3C(F)(F)F)n2)C(C)(C)C1.CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OC3(C)CCCCCC3)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(O[C@H]3CCOC3)c(F)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.[H][H]
• InChI: InChI=1S/C26H36N4O4S.C23H28F3N5O3S.C22H28FN5O5S.H2/c1-19-17-25(2,3)30(18-19)23-20(11-10-16-27-23)24(31)29-35(32,33)22-13-9-12-21(28-22)34-26(4)14-7-5-6-8-15-26;1-15-13-22(2,3)31(14-15)20-16(7-5-11-27-20)21(32)29-35(33,34)19-10-4-9-18(28-19)30-12-6-8-17(30)23(24,25)26;1-13-10-22(2,3)28(11-13)19-15(9-16(23)21(26-19)33-14-7-8-32-12-14)20(29)27-34(30,31)18-6-4-5-17(24)25-18;/h9-13,16,19H,5-8,14-15,17-18H2,1-4H3,(H,29,31);4-5,7,9-11,15,17H,6,8,12-14H2,1-3H3,(H,29,32);4-6,9,13-14H,7-8,10-12H2,1-3H3,(H2,24,25)(H,27,29);1H/t;;13-,14-;/m..0./s1
• InChIKey: RAFILYQUMSGGDZ-GDHUBTFGSA-N
• XLogP: 10.82
• TPSA: 333.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1507.81
LogP ≤ 5	10.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-6-[(3S)-oxolan-3-yl]oxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(1-methylcycloheptyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen;N-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-6-[(3S)-oxolan-3-yl]oxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(1-methylcycloheptyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen;N-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 160568321) is N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-6-[(3S)-oxolan-3-yl]oxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(1-methylcycloheptyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen;N-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-6-[(3S)-oxolan-3-yl]oxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(1-methylcycloheptyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen;N-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-6-[(3S)-oxolan-3-yl]oxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(1-methylcycloheptyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen;N-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCCC3C(F)(F)F)n2)C(C)(C)C1.CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OC3(C)CCCCCC3)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(O[C@H]3CCOC3)c(F)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.[H][H].

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-6-[(3S)-oxolan-3-yl]oxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(1-methylcycloheptyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen;N-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is RAFILYQUMSGGDZ-GDHUBTFGSA-N. The full InChI is InChI=1S/C26H36N4O4S.C23H28F3N5O3S.C22H28FN5O5S.H2/c1-19-17-25(2,3)30(18-19)23-20(11-10-16-27-23)24(31)29-35(32,33)22-13-9-12-21(28-22)34-26(4)14-7-5-6-8-15-26;1-15-13-22(2,3)31(14-15)20-16(7-5-11-27-20)21(32)29-35(33,34)19-10-4-9-18(28-19)30-12-6-8-17(30)23(24,25)26;1-13-10-22(2,3)28(11-13)19-15(9-16(23)21(26-19)33-14-7-8-32-12-14)20(29)27-34(30,31)18-6-4-5-17(24)25-18;/h9-13,16,19H,5-8,14-15,17-18H2,1-4H3,(H,29,31);4-5,7,9-11,15,17H,6,8,12-14H2,1-3H3,(H,29,32);4-6,9,13-14H,7-8,10-12H2,1-3H3,(H2,24,25)(H,27,29);1H/t;;13-,14-;/m..0./s1.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-6-[(3S)-oxolan-3-yl]oxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(1-methylcycloheptyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen;N-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-6-[(3S)-oxolan-3-yl]oxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(1-methylcycloheptyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen;N-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 1507.81 g/mol, XLogP of 10.82, 17 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-6-[(3S)-oxolan-3-yl]oxy-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(1-methylcycloheptyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen;N-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 160568321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).