N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-tert-butylphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-morpholin-4-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C101H122F3N21O14S4 — CID 158746582

About N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-tert-butylphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-morpholin-4-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-tert-butylphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-morpholin-4-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 158746582) has the molecular formula C101H122F3N21O14S4 and a molecular weight of 2039.48 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-tert-butylphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-morpholin-4-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-tert-butylphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-morpholin-4-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 158746582
• Molecular Formula: C101H122F3N21O14S4
• Molecular Weight: 2039.48 g/mol
• Exact Mass: 2037.83
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-tert-butylphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-morpholin-4-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CN(c2ncc(-c3ccc(C(C)(C)C)cc3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCOCC3)n2)C(C)(C)C1.CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Nc3ccc(C(F)(F)F)nc3)n2)C(C)(C)C1.COc1cccc(CCNc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)c1
• InChI: InChI=1S/C28H35N5O3S.C27H33N5O4S.C24H25F3N6O3S.C22H29N5O4S/c1-18-15-28(5,6)33(17-18)25-22(26(34)32-37(35,36)24-9-7-8-23(29)31-24)14-20(16-30-25)19-10-12-21(13-11-19)27(2,3)4;1-19-17-27(2,3)32(18-19)25-22(10-7-14-29-25)26(33)31-37(34,35)24-12-6-11-23(30-24)28-15-13-20-8-5-9-21(16-20)36-4;1-15-12-23(2,3)33(14-15)21-17(6-5-11-28-21)22(34)32-37(35,36)20-8-4-7-19(31-20)30-16-9-10-18(29-13-16)24(25,26)27;1-16-14-22(2,3)27(15-16)20-17(6-5-9-23-20)21(28)25-32(29,30)19-8-4-7-18(24-19)26-10-12-31-13-11-26/h7-14,16,18H,15,17H2,1-6H3,(H2,29,31)(H,32,34);5-12,14,16,19H,13,15,17-18H2,1-4H3,(H,28,30)(H,31,33);4-11,13,15H,12,14H2,1-3H3,(H,30,31)(H,32,34);4-9,16H,10-15H2,1-3H3,(H,25,28)
• InChIKey: IMYPZRBGLYWASR-UHFFFAOYSA-N
• XLogP: 15.08
• TPSA: 453.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2039.48
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-tert-butylphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-morpholin-4-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-tert-butylphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-morpholin-4-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 158746582) is N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-tert-butylphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-morpholin-4-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]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]-5-(4-tert-butylphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-morpholin-4-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-tert-butylphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-morpholin-4-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncc(-c3ccc(C(C)(C)C)cc3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCOCC3)n2)C(C)(C)C1.CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Nc3ccc(C(F)(F)F)nc3)n2)C(C)(C)C1.COc1cccc(CCNc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)c1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-tert-butylphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-morpholin-4-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is IMYPZRBGLYWASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3S.C27H33N5O4S.C24H25F3N6O3S.C22H29N5O4S/c1-18-15-28(5,6)33(17-18)25-22(26(34)32-37(35,36)24-9-7-8-23(29)31-24)14-20(16-30-25)19-10-12-21(13-11-19)27(2,3)4;1-19-17-27(2,3)32(18-19)25-22(10-7-14-29-25)26(33)31-37(34,35)24-12-6-11-23(30-24)28-15-13-20-8-5-9-21(16-20)36-4;1-15-12-23(2,3)33(14-15)21-17(6-5-11-28-21)22(34)32-37(35,36)20-8-4-7-19(31-20)30-16-9-10-18(29-13-16)24(25,26)27;1-16-14-22(2,3)27(15-16)20-17(6-5-9-23-20)21(28)25-32(29,30)19-8-4-7-18(24-19)26-10-12-31-13-11-26/h7-14,16,18H,15,17H2,1-6H3,(H2,29,31)(H,32,34);5-12,14,16,19H,13,15,17-18H2,1-4H3,(H,28,30)(H,31,33);4-11,13,15H,12,14H2,1-3H3,(H,30,31)(H,32,34);4-9,16H,10-15H2,1-3H3,(H,25,28).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-tert-butylphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-morpholin-4-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-tert-butylphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-morpholin-4-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 2039.48 g/mol, XLogP of 15.08, 25 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-tert-butylphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-morpholin-4-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 158746582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).