N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[1-(3,3-dimethylbutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[2-methoxyethyl(propyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[methyl(3-methylbutyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C106H146FN21O14S4 — CID 158010699

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[1-(3,3-dimethylbutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[2-methoxyethyl(propyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[methyl(3-methylbutyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[1-(3,3-dimethylbutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[2-methoxyethyl(propyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[methyl(3-methylbutyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 158010699) has the molecular formula C106H146FN21O14S4 and a molecular weight of 2085.73 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[1-(3,3-dimethylbutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[2-methoxyethyl(propyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[methyl(3-methylbutyl)amino]-2-pyridinyl]sulfonyl]-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-(3,3-dimethylbutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[2-methoxyethyl(propyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[methyl(3-methylbutyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 158010699
• Molecular Formula: C106H146FN21O14S4
• Molecular Weight: 2085.73 g/mol
• Exact Mass: 2084.02
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[1-(3,3-dimethylbutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[2-methoxyethyl(propyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[methyl(3-methylbutyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC(C)CCN(C)c1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CC(C)CC2(C)C)n1.CCCN(CCOC)c1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CC(C)CC2(C)C)n1.C[C@@H]1CN(c2nc(C(C)(C)C)c(C3=CCN(C(=O)CC(C)(C)C)CC3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cc1F
• InChI: InChI=1S/C33H48N6O4S.C25H28FN5O3S.C24H35N5O4S.C24H35N5O3S/c1-21-18-33(8,9)39(20-21)29-24(30(41)37-44(42,43)26-12-10-11-25(34)35-26)17-23(28(36-29)32(5,6)7)22-13-15-38(16-14-22)27(40)19-31(2,3)4;1-15-13-25(3,4)31(14-15)23-18(9-10-20(29-23)17-8-7-16(2)19(26)12-17)24(32)30-35(33,34)21-6-5-11-28-22(21)27;1-6-13-28(14-15-33-5)20-10-7-11-21(26-20)34(31,32)27-23(30)19-9-8-12-25-22(19)29-17-18(2)16-24(29,3)4;1-17(2)12-14-28(6)20-10-7-11-21(26-20)33(31,32)27-23(30)19-9-8-13-25-22(19)29-16-18(3)15-24(29,4)5/h10-13,17,21H,14-16,18-20H2,1-9H3,(H2,34,35)(H,37,41);5-12,15H,13-14H2,1-4H3,(H2,27,28)(H,30,32);7-12,18H,6,13-17H2,1-5H3,(H,27,30);7-11,13,17-18H,12,14-16H2,1-6H3,(H,27,30)/t21-;15-;;/m00../s1
• InChIKey: FEVSBZITDABOTR-PRZSPIBOSA-N
• XLogP: 15.85
• TPSA: 457.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2085.73
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[1-(3,3-dimethylbutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[2-methoxyethyl(propyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[methyl(3-methylbutyl)amino]-2-pyridinyl]sulfonyl]-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-(3,3-dimethylbutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[2-methoxyethyl(propyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[methyl(3-methylbutyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 158010699) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[1-(3,3-dimethylbutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[2-methoxyethyl(propyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[methyl(3-methylbutyl)amino]-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]-6-tert-butyl-5-[1-(3,3-dimethylbutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[2-methoxyethyl(propyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[methyl(3-methylbutyl)amino]-2-pyridinyl]sulfonyl]-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-(3,3-dimethylbutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[2-methoxyethyl(propyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[methyl(3-methylbutyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC(C)CCN(C)c1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CC(C)CC2(C)C)n1.CCCN(CCOC)c1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CC(C)CC2(C)C)n1.C[C@@H]1CN(c2nc(C(C)(C)C)c(C3=CCN(C(=O)CC(C)(C)C)CC3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cc1F.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[1-(3,3-dimethylbutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[2-methoxyethyl(propyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[methyl(3-methylbutyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is FEVSBZITDABOTR-PRZSPIBOSA-N. The full InChI is InChI=1S/C33H48N6O4S.C25H28FN5O3S.C24H35N5O4S.C24H35N5O3S/c1-21-18-33(8,9)39(20-21)29-24(30(41)37-44(42,43)26-12-10-11-25(34)35-26)17-23(28(36-29)32(5,6)7)22-13-15-38(16-14-22)27(40)19-31(2,3)4;1-15-13-25(3,4)31(14-15)23-18(9-10-20(29-23)17-8-7-16(2)19(26)12-17)24(32)30-35(33,34)21-6-5-11-28-22(21)27;1-6-13-28(14-15-33-5)20-10-7-11-21(26-20)34(31,32)27-23(30)19-9-8-12-25-22(19)29-17-18(2)16-24(29,3)4;1-17(2)12-14-28(6)20-10-7-11-21(26-20)33(31,32)27-23(30)19-9-8-13-25-22(19)29-16-18(3)15-24(29,4)5/h10-13,17,21H,14-16,18-20H2,1-9H3,(H2,34,35)(H,37,41);5-12,15H,13-14H2,1-4H3,(H2,27,28)(H,30,32);7-12,18H,6,13-17H2,1-5H3,(H,27,30);7-11,13,17-18H,12,14-16H2,1-6H3,(H,27,30)/t21-;15-;;/m00../s1.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[1-(3,3-dimethylbutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[2-methoxyethyl(propyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[methyl(3-methylbutyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[1-(3,3-dimethylbutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[2-methoxyethyl(propyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[methyl(3-methylbutyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 2085.73 g/mol, XLogP of 15.85, 29 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[1-(3,3-dimethylbutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[2-methoxyethyl(propyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[methyl(3-methylbutyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 158010699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).