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

C79H89F3N14O10S3 — CID 158567482

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

N-[[6-(3-acetylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 158567482) has the molecular formula C79H89F3N14O10S3 and a molecular weight of 1547.86 g/mol. Its IUPAC name is N-[[6-(3-acetylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(3-acetylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 158567482
• Molecular Formula: C79H89F3N14O10S3
• Molecular Weight: 1547.86 g/mol
• Exact Mass: 1546.60
• IUPAC Name: N-[[6-(3-acetylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC(=O)c1cccc(Nc2cccc(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)n2)C(C)(C)C1.Cc1ccc(C)c(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)c1
• InChI: InChI=1S/C28H32N4O4S.C26H31N5O3S.C25H26F3N5O3S/c1-19-17-28(3,4)32(18-19)24-13-7-6-12-23(24)27(34)31(5)37(35,36)26-15-9-14-25(30-26)29-22-11-8-10-21(16-22)20(2)33;1-16-8-9-18(3)20(13-16)21-11-10-19(24(29-21)31-15-17(2)14-26(31,4)5)25(32)30-35(33,34)22-7-6-12-28-23(22)27;1-15-12-24(2,3)33(14-15)22-19(23(34)32-37(35,36)21-9-5-8-20(29)31-21)11-17(13-30-22)16-6-4-7-18(10-16)25(26,27)28/h6-16,19H,17-18H2,1-5H3,(H,29,30);6-13,17H,14-15H2,1-5H3,(H2,27,28)(H,30,32);4-11,13,15H,12,14H2,1-3H3,(H2,29,31)(H,32,34)/t;17-;/m.0./s1
• InChIKey: HRQVAIDCQUHWTK-COGGZINGSA-N
• XLogP: 13.69
• TPSA: 336.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1547.86
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of N-[[6-(3-acetylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 158567482) is N-[[6-(3-acetylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for N-[[6-(3-acetylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC(=O)c1cccc(Nc2cccc(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)n2)C(C)(C)C1.Cc1ccc(C)c(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)c1.

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

The InChIKey is HRQVAIDCQUHWTK-COGGZINGSA-N. The full InChI is InChI=1S/C28H32N4O4S.C26H31N5O3S.C25H26F3N5O3S/c1-19-17-28(3,4)32(18-19)24-13-7-6-12-23(24)27(34)31(5)37(35,36)26-15-9-14-25(30-26)29-22-11-8-10-21(16-22)20(2)33;1-16-8-9-18(3)20(13-16)21-11-10-19(24(29-21)31-15-17(2)14-26(31,4)5)25(32)30-35(33,34)22-7-6-12-28-23(22)27;1-15-12-24(2,3)33(14-15)22-19(23(34)32-37(35,36)21-9-5-8-20(29)31-21)11-17(13-30-22)16-6-4-7-18(10-16)25(26,27)28/h6-16,19H,17-18H2,1-5H3,(H,29,30);6-13,17H,14-15H2,1-5H3,(H2,27,28)(H,30,32);4-11,13,15H,12,14H2,1-3H3,(H2,29,31)(H,32,34)/t;17-;/m.0./s1.

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

N-[[6-(3-acetylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 1547.86 g/mol, XLogP of 13.69, 17 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(3-acetylanilino)-2-pyridinyl]sulfonyl]-N-methyl-2-(2,2,4-trimethylpyrrolidin-1-yl)benzamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,5-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 158567482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).