N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C102H124ClFN22O14S4 — CID 161076188

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCC(CCN(C)C)CC3)n2)C(C)(C)C1.CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCc4cc(Cl)ccc43)n2)C(C)(C)C1.CCOc1ccc(-c2cnc(N3CC(C)CC3(C)C)c(C(=O)NS(=O)(=O)c3cccc(N)n3)c2)cn1.C[C@@H]1CN(c2nc(-c3cccc(F)c3O)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C27H40N6O3S.C26H28ClN5O3S.C25H30N6O4S.C24H26FN5O4S/c1-20-18-27(2,3)33(19-20)25-22(8-7-14-28-25)26(34)30-37(35,36)24-10-6-9-23(29-24)32-16-12-21(13-17-32)11-15-31(4)5;1-17-15-26(2,3)32(16-17)24-20(6-5-12-28-24)25(33)30-36(34,35)23-8-4-7-22(29-23)31-13-11-18-14-19(27)9-10-21(18)31;1-5-35-21-10-9-17(13-27-21)18-11-19(23(28-14-18)31-15-16(2)12-25(31,3)4)24(32)30-36(33,34)22-8-6-7-20(26)29-22;1-14-12-24(2,3)30(13-14)22-16(10-11-18(27-22)15-6-4-7-17(25)21(15)31)23(32)29-35(33,34)20-9-5-8-19(26)28-20/h6-10,14,20-21H,11-13,15-19H2,1-5H3,(H,30,34);4-10,12,14,17H,11,13,15-16H2,1-3H3,(H,30,33);6-11,13-14,16H,5,12,15H2,1-4H3,(H2,26,29)(H,30,32);4-11,14,31H,12-13H2,1-3H3,(H2,26,28)(H,29,32)/t;;;14-/m...0/s1
InChIKeyUFHQNSYSPPQZRH-UFVCJTMNSA-N
MW2064.97 g/mol
LogP14.53
Rot. Bonds25

About N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 161076188) has the molecular formula C102H124ClFN22O14S4 and a molecular weight of 2064.97 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID161076188
Molecular FormulaC102H124ClFN22O14S4
Molecular Weight2064.97 g/mol
Exact Mass2062.82
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCC(CCN(C)C)CC3)n2)C(C)(C)C1.CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCc4cc(Cl)ccc43)n2)C(C)(C)C1.CCOc1ccc(-c2cnc(N3CC(C)CC3(C)C)c(C(=O)NS(=O)(=O)c3cccc(N)n3)c2)cn1.C[C@@H]1CN(c2nc(-c3cccc(F)c3O)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C27H40N6O3S.C26H28ClN5O3S.C25H30N6O4S.C24H26FN5O4S/c1-20-18-27(2,3)33(19-20)25-22(8-7-14-28-25)26(34)30-37(35,36)24-10-6-9-23(29-24)32-16-12-21(13-17-32)11-15-31(4)5;1-17-15-26(2,3)32(16-17)24-20(6-5-12-28-24)25(33)30-36(34,35)23-8-4-7-22(29-23)31-13-11-18-14-19(27)9-10-21(18)31;1-5-35-21-10-9-17(13-27-21)18-11-19(23(28-14-18)31-15-16(2)12-25(31,3)4)24(32)30-36(33,34)22-8-6-7-20(26)29-22;1-14-12-24(2,3)30(13-14)22-16(10-11-18(27-22)15-6-4-7-17(25)21(15)31)23(32)29-35(33,34)20-9-5-8-19(26)28-20/h6-10,14,20-21H,11-13,15-19H2,1-5H3,(H,30,34);4-10,12,14,17H,11,13,15-16H2,1-3H3,(H,30,33);6-11,13-14,16H,5,12,15H2,1-4H3,(H2,26,29)(H,30,32);4-11,14,31H,12-13H2,1-3H3,(H2,26,28)(H,29,32)/t;;;14-/m...0/s1
InChIKeyUFHQNSYSPPQZRH-UFVCJTMNSA-N
XLogP14.53
TPSA473.15 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds25
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002064.97
LogP ≤ 514.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[4-[2-(dimethylamino)ethyl]piperidin-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-(6-ethoxy-3-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 161076188) is N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[4-[2-(dimethylamino)ethyl]piperidin-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-(6-ethoxy-3-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[4-[2-(dimethylamino)ethyl]piperidin-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-(6-ethoxy-3-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCC(CCN(C)C)CC3)n2)C(C)(C)C1.CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCc4cc(Cl)ccc43)n2)C(C)(C)C1.CCOc1ccc(-c2cnc(N3CC(C)CC3(C)C)c(C(=O)NS(=O)(=O)c3cccc(N)n3)c2)cn1.C[C@@H]1CN(c2nc(-c3cccc(F)c3O)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is UFHQNSYSPPQZRH-UFVCJTMNSA-N. The full InChI is InChI=1S/C27H40N6O3S.C26H28ClN5O3S.C25H30N6O4S.C24H26FN5O4S/c1-20-18-27(2,3)33(19-20)25-22(8-7-14-28-25)26(34)30-37(35,36)24-10-6-9-23(29-24)32-16-12-21(13-17-32)11-15-31(4)5;1-17-15-26(2,3)32(16-17)24-20(6-5-12-28-24)25(33)30-36(34,35)23-8-4-7-22(29-23)31-13-11-18-14-19(27)9-10-21(18)31;1-5-35-21-10-9-17(13-27-21)18-11-19(23(28-14-18)31-15-16(2)12-25(31,3)4)24(32)30-36(33,34)22-8-6-7-20(26)29-22;1-14-12-24(2,3)30(13-14)22-16(10-11-18(27-22)15-6-4-7-17(25)21(15)31)23(32)29-35(33,34)20-9-5-8-19(26)28-20/h6-10,14,20-21H,11-13,15-19H2,1-5H3,(H,30,34);4-10,12,14,17H,11,13,15-16H2,1-3H3,(H,30,33);6-11,13-14,16H,5,12,15H2,1-4H3,(H2,26,29)(H,30,32);4-11,14,31H,12-13H2,1-3H3,(H2,26,28)(H,29,32)/t;;;14-/m...0/s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 2064.97 g/mol, XLogP of 14.53, 25 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(6-ethoxy-3-pyridinyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 161076188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).