N-[[6-(3-acetyl-N-methylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(2,5-dimethylphenyl)-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C83H97F3N14O10S3 — CID 158400070

About N-[[6-(3-acetyl-N-methylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(2,5-dimethylphenyl)-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[[6-(3-acetyl-N-methylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(2,5-dimethylphenyl)-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 158400070) has the molecular formula C83H97F3N14O10S3 and a molecular weight of 1603.97 g/mol. Its IUPAC name is N-[[6-(3-acetyl-N-methylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(2,5-dimethylphenyl)-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(3-acetyl-N-methylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(2,5-dimethylphenyl)-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 158400070
• Molecular Formula: C83H97F3N14O10S3
• Molecular Weight: 1603.97 g/mol
• Exact Mass: 1602.66
• IUPAC Name: N-[[6-(3-acetyl-N-methylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(2,5-dimethylphenyl)-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: CC(=O)c1cccc(N(C)c2cccc(S(=O)(=O)N(C)C(=O)c3ccccc3N3CC(C)CC3(C)C)n2)c1.CC1CN(c2ncc(-c3cccc(C(F)(F)F)c3)cc2C(=O)NS(=O)(=O)c2cccc(N(C)C)n2)C(C)(C)C1.CNc1ncccc1S(=O)(=O)NC(=O)c1ccc(-c2cc(C)ccc2C)nc1N1C[C@@H](C)CC1(C)C
• InChI: InChI=1S/C29H34N4O4S.C27H30F3N5O3S.C27H33N5O3S/c1-20-18-29(3,4)33(19-20)25-14-8-7-13-24(25)28(35)32(6)38(36,37)27-16-10-15-26(30-27)31(5)23-12-9-11-22(17-23)21(2)34;1-17-14-26(2,3)35(16-17)24-21(13-19(15-31-24)18-8-6-9-20(12-18)27(28,29)30)25(36)33-39(37,38)23-11-7-10-22(32-23)34(4)5;1-17-9-10-19(3)21(14-17)22-12-11-20(25(30-22)32-16-18(2)15-27(32,4)5)26(33)31-36(34,35)23-8-7-13-29-24(23)28-6/h7-17,20H,18-19H2,1-6H3;6-13,15,17H,14,16H2,1-5H3,(H,33,36);7-14,18H,15-16H2,1-6H3,(H,28,29)(H,31,33)/t;;18-/m..0/s1
• InChIKey: GXZLPDKCKDKCEA-BVWZTCPQSA-N
• XLogP: 14.66
• TPSA: 290.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1603.97
LogP ≤ 5	14.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-acetyl-N-methylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(2,5-dimethylphenyl)-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[[6-(3-acetyl-N-methylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(2,5-dimethylphenyl)-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 158400070) is N-[[6-(3-acetyl-N-methylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(2,5-dimethylphenyl)-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[[6-(3-acetyl-N-methylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(2,5-dimethylphenyl)-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[[6-(3-acetyl-N-methylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(2,5-dimethylphenyl)-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CC(=O)c1cccc(N(C)c2cccc(S(=O)(=O)N(C)C(=O)c3ccccc3N3CC(C)CC3(C)C)n2)c1.CC1CN(c2ncc(-c3cccc(C(F)(F)F)c3)cc2C(=O)NS(=O)(=O)c2cccc(N(C)C)n2)C(C)(C)C1.CNc1ncccc1S(=O)(=O)NC(=O)c1ccc(-c2cc(C)ccc2C)nc1N1C[C@@H](C)CC1(C)C.

What is the InChIKey of N-[[6-(3-acetyl-N-methylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(2,5-dimethylphenyl)-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is GXZLPDKCKDKCEA-BVWZTCPQSA-N. The full InChI is InChI=1S/C29H34N4O4S.C27H30F3N5O3S.C27H33N5O3S/c1-20-18-29(3,4)33(19-20)25-14-8-7-13-24(25)28(35)32(6)38(36,37)27-16-10-15-26(30-27)31(5)23-12-9-11-22(17-23)21(2)34;1-17-14-26(2,3)35(16-17)24-21(13-19(15-31-24)18-8-6-9-20(12-18)27(28,29)30)25(36)33-39(37,38)23-11-7-10-22(32-23)34(4)5;1-17-9-10-19(3)21(14-17)22-12-11-20(25(30-22)32-16-18(2)15-27(32,4)5)26(33)31-36(34,35)23-8-7-13-29-24(23)28-6/h7-17,20H,18-19H2,1-6H3;6-13,15,17H,14,16H2,1-5H3,(H,33,36);7-14,18H,15-16H2,1-6H3,(H,28,29)(H,31,33)/t;;18-/m..0/s1.

What are the key properties of N-[[6-(3-acetyl-N-methylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(2,5-dimethylphenyl)-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

N-[[6-(3-acetyl-N-methylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(2,5-dimethylphenyl)-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 1603.97 g/mol, XLogP of 14.66, 19 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(3-acetyl-N-methylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-(2,5-dimethylphenyl)-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 158400070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).