N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C99H114F5N23O12S4 — CID 157303524

IUPACN-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC(C)n1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cn1.CC1CN(c2ncc(-c3ccc(N(C)C)cc3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Nc3ccc(C(F)(F)F)cc3)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(-c3cccc(F)c3F)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1
InChIInChI=1S/C26H32N6O3S.C25H26F3N5O3S.C24H25F2N5O3S.C24H31N7O3S/c1-17-14-26(2,3)32(16-17)24-21(25(33)30-36(34,35)23-8-6-7-22(27)29-23)13-19(15-28-24)18-9-11-20(12-10-18)31(4)5;1-16-14-24(2,3)33(15-16)22-19(6-5-13-29-22)23(34)32-37(35,36)21-8-4-7-20(31-21)30-18-11-9-17(10-12-18)25(26,27)28;1-14-12-24(2,3)31(13-14)22-16(9-10-18(29-22)15-6-4-7-17(25)20(15)26)23(32)30-35(33,34)19-8-5-11-28-21(19)27;1-15(2)31-14-17(12-27-31)19-9-8-18(22(28-19)30-13-16(3)11-24(30,4)5)23(32)29-35(33,34)20-7-6-10-26-21(20)25/h6-13,15,17H,14,16H2,1-5H3,(H2,27,29)(H,30,33);4-13,16H,14-15H2,1-3H3,(H,30,31)(H,32,34);4-11,14H,12-13H2,1-3H3,(H2,27,28)(H,30,32);6-10,12,14-16H,11,13H2,1-5H3,(H2,25,26)(H,29,32)/t;;14-;16-/m..00/s1
InChIKeyBCEIOIVROITVKT-GQQFKPDUSA-N
MW2041.41 g/mol
LogP15.51
Rot. Bonds23

About N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 157303524) has the molecular formula C99H114F5N23O12S4 and a molecular weight of 2041.41 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID157303524
Molecular FormulaC99H114F5N23O12S4
Molecular Weight2041.41 g/mol
Exact Mass2039.78
IUPAC NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC(C)n1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cn1.CC1CN(c2ncc(-c3ccc(N(C)C)cc3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Nc3ccc(C(F)(F)F)cc3)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(-c3cccc(F)c3F)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1
InChIInChI=1S/C26H32N6O3S.C25H26F3N5O3S.C24H25F2N5O3S.C24H31N7O3S/c1-17-14-26(2,3)32(16-17)24-21(25(33)30-36(34,35)23-8-6-7-22(27)29-23)13-19(15-28-24)18-9-11-20(12-10-18)31(4)5;1-16-14-24(2,3)33(15-16)22-19(6-5-13-29-22)23(34)32-37(35,36)21-8-4-7-20(31-21)30-18-11-9-17(10-12-18)25(26,27)28;1-14-12-24(2,3)31(13-14)22-16(9-10-18(29-22)15-6-4-7-17(25)20(15)26)23(32)30-35(33,34)19-8-5-11-28-21(19)27;1-15(2)31-14-17(12-27-31)19-9-8-18(22(28-19)30-13-16(3)11-24(30,4)5)23(32)29-35(33,34)20-7-6-10-26-21(20)25/h6-13,15,17H,14,16H2,1-5H3,(H2,27,29)(H,30,33);4-13,16H,14-15H2,1-3H3,(H,30,31)(H,32,34);4-11,14H,12-13H2,1-3H3,(H2,27,28)(H,30,32);6-10,12,14-16H,11,13H2,1-5H3,(H2,25,26)(H,29,32)/t;;14-;16-/m..00/s1
InChIKeyBCEIOIVROITVKT-GQQFKPDUSA-N
XLogP15.51
TPSA480.19 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002041.41
LogP ≤ 515.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-benzyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-cyclohexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-hexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(3-phenylpropyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 157141744
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
2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-lambda6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 158812716
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-propan-2-yloxypyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[methyl(propyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 158926939
6-(1-acetylpiperidin-4-yl)-N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclopentylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3,5-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 159008027
N-[4-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]phenyl]methanesulfonamide;2-(3-methylbutyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-piperidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;5-[4-[6-(propan-2-ylamino)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[4-[1-(3-propan-2-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-propylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methanesulfonamide
CID 159556961
2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-lambda6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 159603081
N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[1-(2-phenylacetyl)-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-isoquinolin-4-yl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 160380559
[3,5-Bis(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-4-yl]-phenylmethanone;5-(chloromethylsulfonyl)-2-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]pyridine;2-[3-(difluoromethylidene)-2-(5-methylsulfonyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-5-methylsulfonylpyridine;1-[3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)-5-phenylpyrazol-4-yl]-2,2-difluoroethanone;1-[[6-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]-3-pyridinyl]sulfonylmethyl]-2-(5-methylsulfonyl-2-pyridinyl)hydrazine;1,1,3,3-tetrafluoro-1-[1-(5-methylsulfonyl-2-pyridinyl)-5-phenylpyrazol-3-yl]propan-2-one
CID 161696418
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(5-fluoro-2-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[(3-methylphenyl)methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 161932070
(14S,17R)-8-(4,4-difluorocyclohexen-1-yl)-12,12-dimethyl-2,2-dioxo-17-pyridin-2-yl-2lambda6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S,17R)-8-(4,4-difluorocyclohexyl)-12,12-dimethyl-2,2-dioxo-17-pyridin-2-yl-2lambda6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one
CID 167538158
N-[4-(2,5-difluorophenyl)-2-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6-propan-2-ylpyridine-3-carboxamide;N-[2-(3,3-difluoropyrrolidin-1-yl)-4-phenyl-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide;ethane;N-[2-(3-fluoropyrrolidin-1-yl)-4-phenyl-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 168168346

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 157303524) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC(C)n1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cn1.CC1CN(c2ncc(-c3ccc(N(C)C)cc3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Nc3ccc(C(F)(F)F)cc3)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(-c3cccc(F)c3F)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1.
What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is BCEIOIVROITVKT-GQQFKPDUSA-N. The full InChI is InChI=1S/C26H32N6O3S.C25H26F3N5O3S.C24H25F2N5O3S.C24H31N7O3S/c1-17-14-26(2,3)32(16-17)24-21(25(33)30-36(34,35)23-8-6-7-22(27)29-23)13-19(15-28-24)18-9-11-20(12-10-18)31(4)5;1-16-14-24(2,3)33(15-16)22-19(6-5-13-29-22)23(34)32-37(35,36)21-8-4-7-20(31-21)30-18-11-9-17(10-12-18)25(26,27)28;1-14-12-24(2,3)31(13-14)22-16(9-10-18(29-22)15-6-4-7-17(25)20(15)26)23(32)30-35(33,34)19-8-5-11-28-21(19)27;1-15(2)31-14-17(12-27-31)19-9-8-18(22(28-19)30-13-16(3)11-24(30,4)5)23(32)29-35(33,34)20-7-6-10-26-21(20)25/h6-13,15,17H,14,16H2,1-5H3,(H2,27,29)(H,30,33);4-13,16H,14-15H2,1-3H3,(H,30,31)(H,32,34);4-11,14H,12-13H2,1-3H3,(H2,27,28)(H,30,32);6-10,12,14-16H,11,13H2,1-5H3,(H2,25,26)(H,29,32)/t;;14-;16-/m..00/s1.
What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 2041.41 g/mol, XLogP of 15.51, 23 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 157303524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).