5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide

C112H111F4N27O18S5 — CID 157200652

IUPAC5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(-c4ccnc(NC(C)=O)c4)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(N3CCCS3(=O)=O)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)Nc3cccnc3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N3CCCC3)c2)ccn1.CNS(=O)(=O)c1cc(-c2ccnc(CC(C)=O)c2)cnc1N
InChIInChI=1S/C27H24FN5O4S.C21H18F3N3O3S.C18H16N6O2.C16H19N5O3S.C16H18N4O3S.C14H16N4O3S/c1-16(34)10-23-11-20(6-8-29-23)22-13-25(17(2)31-15-22)33-38(36,37)26-5-4-19(12-24(26)28)21-7-9-30-27(14-21)32-18(3)35;1-13-17(12-31(29,30)19-5-3-18(4-6-19)21(22,23)24)9-16(11-26-13)15-7-8-25-20(10-15)27-14(2)28;1-11(25)23-16-8-12(4-6-21-16)13-7-15(17(19)22-9-13)18(26)24-14-3-2-5-20-10-14;1-11(22)20-15-9-12(4-5-18-15)13-8-14(16(17)19-10-13)25(23,24)21-6-2-3-7-21;1-11-15(20-6-3-7-24(20,22)23)8-14(10-18-11)13-4-5-17-16(9-13)19-12(2)21;1-9(19)5-12-6-10(3-4-17-12)11-7-13(14(15)18-8-11)22(20,21)16-2/h4-9,11-15,33H,10H2,1-3H3,(H,30,32,35);3-11H,12H2,1-2H3,(H,25,27,28);2-10H,1H3,(H2,19,22)(H,24,26)(H,21,23,25);4-5,8-10H,2-3,6-7H2,1H3,(H2,17,19)(H,18,20,22);4-5,8-10H,3,6-7H2,1-2H3,(H,17,19,21);3-4,6-8,16H,5H2,1-2H3,(H2,15,18)
InChIKeyAQTIDMWWRSLUEG-UHFFFAOYSA-N
MW2359.62 g/mol
LogP15.46
Rot. Bonds29

About 5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide

5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 157200652) has the molecular formula C112H111F4N27O18S5 and a molecular weight of 2359.62 g/mol. Its IUPAC name is 5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID157200652
Molecular FormulaC112H111F4N27O18S5
Molecular Weight2359.62 g/mol
Exact Mass2357.71
IUPAC Name5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(-c4ccnc(NC(C)=O)c4)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(N3CCCS3(=O)=O)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)Nc3cccnc3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N3CCCC3)c2)ccn1.CNS(=O)(=O)c1cc(-c2ccnc(CC(C)=O)c2)cnc1N
InChIInChI=1S/C27H24FN5O4S.C21H18F3N3O3S.C18H16N6O2.C16H19N5O3S.C16H18N4O3S.C14H16N4O3S/c1-16(34)10-23-11-20(6-8-29-23)22-13-25(17(2)31-15-22)33-38(36,37)26-5-4-19(12-24(26)28)21-7-9-30-27(14-21)32-18(3)35;1-13-17(12-31(29,30)19-5-3-18(4-6-19)21(22,23)24)9-16(11-26-13)15-7-8-25-20(10-15)27-14(2)28;1-11(25)23-16-8-12(4-6-21-16)13-7-15(17(19)22-9-13)18(26)24-14-3-2-5-20-10-14;1-11(22)20-15-9-12(4-5-18-15)13-8-14(16(17)19-10-13)25(23,24)21-6-2-3-7-21;1-11-15(20-6-3-7-24(20,22)23)8-14(10-18-11)13-4-5-17-16(9-13)19-12(2)21;1-9(19)5-12-6-10(3-4-17-12)11-7-13(14(15)18-8-11)22(20,21)16-2/h4-9,11-15,33H,10H2,1-3H3,(H,30,32,35);3-11H,12H2,1-2H3,(H,25,27,28);2-10H,1H3,(H2,19,22)(H,24,26)(H,21,23,25);4-5,8-10H,2-3,6-7H2,1H3,(H2,17,19)(H,18,20,22);4-5,8-10H,3,6-7H2,1-2H3,(H,17,19,21);3-4,6-8,16H,5H2,1-2H3,(H2,15,18)
InChIKeyAQTIDMWWRSLUEG-UHFFFAOYSA-N
XLogP15.46
TPSA668.50 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds29
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002359.62
LogP ≤ 515.46
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Analyze 5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(3,3-difluoropyrrolidin-1-yl)-2H-2,7-naphthyridin-1-one;N,2-dimethyl-2-[4-[[3-(5-methylsulfonyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]propanamide
CID 87191497
N-[8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-3-yl]-2-methyl-2-[4-[[3-(5-methylsulfonyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]propanamide
CID 140192859
2-Anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 157463893
5-(2-acetamido-4-pyridinyl)-2-amino-N-(cyclopropylmethyl)pyridine-3-carboxamide;N-[4-[6-amino-5-(1-bicyclo[1.1.1]pentanylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[5-[2-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-(5-phenacyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 157690456
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;5-(5-fluoro-2-methylphenyl)-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[(5-fluoro-6-pyridazin-4-yl-3-pyridinyl)methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-(3-methyl-2-pyridinyl)-N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;5-(3-methyl-2-pyridinyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;1-[5-[6-[3-[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]-2-pyridinyl]pyrrolidin-2-one
CID 157965970
2-Anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen
CID 158160081
5-(2-acetamido-4-pyridinyl)-2-amino-N-cyclopropylpyridine-3-carboxamide;2-amino-N-(2,4-difluorophenyl)-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;2-amino-N,N-dimethyl-5-[2-(1,3-oxazol-2-ylamino)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-methyl-5-(methylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide
CID 158424458
CID 158824522
CID 158824522
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;1-[5-[6-[3-[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-3-pyridinyl]-2-pyridinyl]pyrrolidin-2-one;N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(3-methyl-2-pyridinyl)pyridine-2-carboxamide;N-[[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
CID 158915067
N-[4-(5-acetyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-fluorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;N-[4-[6-methyl-5-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 159572626
6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-(3-fluorophenyl)pyridine-2-carboxamide;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-(3-fluorophenyl)pyridine-3-carboxamide;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-pyridin-3-ylpyridine-3-carboxamide;5-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;6-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide;methyl 4-[5-[3-[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propanoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 159681448
[2-(dimethylamino)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2-dimethyl-1-[2-methyl-1'-(3-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;N-[5-[2-methyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]phenyl]-2-pyridinyl]acetamide;molecular hydrogen
CID 160375665

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of 5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide (CID 157200652) is 5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for 5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(-c4ccnc(NC(C)=O)c4)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(N3CCCS3(=O)=O)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)Nc3cccnc3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N3CCCC3)c2)ccn1.CNS(=O)(=O)c1cc(-c2ccnc(CC(C)=O)c2)cnc1N.
What is the InChIKey of 5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is AQTIDMWWRSLUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O4S.C21H18F3N3O3S.C18H16N6O2.C16H19N5O3S.C16H18N4O3S.C14H16N4O3S/c1-16(34)10-23-11-20(6-8-29-23)22-13-25(17(2)31-15-22)33-38(36,37)26-5-4-19(12-24(26)28)21-7-9-30-27(14-21)32-18(3)35;1-13-17(12-31(29,30)19-5-3-18(4-6-19)21(22,23)24)9-16(11-26-13)15-7-8-25-20(10-15)27-14(2)28;1-11(25)23-16-8-12(4-6-21-16)13-7-15(17(19)22-9-13)18(26)24-14-3-2-5-20-10-14;1-11(22)20-15-9-12(4-5-18-15)13-8-14(16(17)19-10-13)25(23,24)21-6-2-3-7-21;1-11-15(20-6-3-7-24(20,22)23)8-14(10-18-11)13-4-5-17-16(9-13)19-12(2)21;1-9(19)5-12-6-10(3-4-17-12)11-7-13(14(15)18-8-11)22(20,21)16-2/h4-9,11-15,33H,10H2,1-3H3,(H,30,32,35);3-11H,12H2,1-2H3,(H,25,27,28);2-10H,1H3,(H2,19,22)(H,24,26)(H,21,23,25);4-5,8-10H,2-3,6-7H2,1H3,(H2,17,19)(H,18,20,22);4-5,8-10H,3,6-7H2,1-2H3,(H,17,19,21);3-4,6-8,16H,5H2,1-2H3,(H2,15,18).
What are the key properties of 5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide?
5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 2359.62 g/mol, XLogP of 15.46, 29 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 157200652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).