N-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one

C86H92F2N20O13S3 — CID 162193320

IUPACN-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(-c2cncc(S(=O)(=O)N3CCC(F)(F)CC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)N3CCCCC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)Cc3ccccc3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)NC(C)C)c2)ccn1.CC(=O)Nc1cc(-c2cncc(C(=O)C3CC3)c2)ccn1
InChIInChI=1S/C19H18N4O3S.C18H19F2N3O3S.C18H21N5O2.C16H15N3O2.C15H19N5O3S/c1-13(24)23-18-10-15(7-8-21-18)16-9-17(19(20)22-11-16)27(25,26)12-14-5-3-2-4-6-14;1-13(24)8-16-9-14(2-5-22-16)15-10-17(12-21-11-15)27(25,26)23-6-3-18(19,20)4-7-23;1-12(24)22-16-10-13(5-6-20-16)14-9-15(17(19)21-11-14)18(25)23-7-3-2-4-8-23;1-10(20)19-15-7-12(4-5-18-15)13-6-14(9-17-8-13)16(21)11-2-3-11;1-9(2)20-24(22,23)13-6-12(8-18-15(13)16)11-4-5-17-14(7-11)19-10(3)21/h2-11H,12H2,1H3,(H2,20,22)(H,21,23,24);2,5,9-12H,3-4,6-8H2,1H3;5-6,9-11H,2-4,7-8H2,1H3,(H2,19,21)(H,20,22,24);4-9,11H,2-3H2,1H3,(H,18,19,20);4-9,20H,1-3H3,(H2,16,18)(H,17,19,21)
InChIKeyZQPMOJWJHSPDAZ-UHFFFAOYSA-N
MW1748.01 g/mol
LogP11.73
Rot. Bonds22

About N-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one

N-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one (PubChem CID 162193320) has the molecular formula C86H92F2N20O13S3 and a molecular weight of 1748.01 g/mol. Its IUPAC name is N-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one.

Molecular Properties

Compound NameN-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one
PubChem CID162193320
Molecular FormulaC86H92F2N20O13S3
Molecular Weight1748.01 g/mol
Exact Mass1746.63
IUPAC NameN-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(-c2cncc(S(=O)(=O)N3CCC(F)(F)CC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)N3CCCCC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)Cc3ccccc3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)NC(C)C)c2)ccn1.CC(=O)Nc1cc(-c2cncc(C(=O)C3CC3)c2)ccn1
InChIInChI=1S/C19H18N4O3S.C18H19F2N3O3S.C18H21N5O2.C16H15N3O2.C15H19N5O3S/c1-13(24)23-18-10-15(7-8-21-18)16-9-17(19(20)22-11-16)27(25,26)12-14-5-3-2-4-6-14;1-13(24)8-16-9-14(2-5-22-16)15-10-17(12-21-11-15)27(25,26)23-6-3-18(19,20)4-7-23;1-12(24)22-16-10-13(5-6-20-16)14-9-15(17(19)21-11-14)18(25)23-7-3-2-4-8-23;1-10(20)19-15-7-12(4-5-18-15)13-6-14(9-17-8-13)16(21)11-2-3-11;1-9(2)20-24(22,23)13-6-12(8-18-15(13)16)11-4-5-17-14(7-11)19-10(3)21/h2-11H,12H2,1H3,(H2,20,22)(H,21,23,24);2,5,9-12H,3-4,6-8H2,1H3;5-6,9-11H,2-4,7-8H2,1H3,(H2,19,21)(H,20,22,24);4-9,11H,2-3H2,1H3,(H,18,19,20);4-9,20H,1-3H3,(H2,16,18)(H,17,19,21)
InChIKeyZQPMOJWJHSPDAZ-UHFFFAOYSA-N
XLogP11.73
TPSA495.50 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001748.01
LogP ≤ 511.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze N-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3-Methylsulfonylphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098971
6-[4-[(6-aminopyridin-3-yl)methylcarbamoylamino]cyclohexyl]-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 46917755
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
6-Benzoyl-2-(4-piperidin-4-ylanilino)-8-[[3-(2,2,2-trifluoroethylsulfonyl)pyridin-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 89637477
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
6-[(2S)-2-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-N-[(4-ethylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 146298376
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
6-[5-(Cyclopropyl-methylidene-oxo-lambda6-sulfanyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methyl(methylidene)-lambda4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 157212377
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
7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-5-methyl-1-phenyl-7-(thiophene-2-carbonyl)-1,8-naphthyridin-4-one;N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide
CID 157716233
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one?
The IUPAC name of N-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one (CID 162193320) is N-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one.
What is the SMILES notation for N-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one?
The canonical SMILES for N-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(-c2cncc(S(=O)(=O)N3CCC(F)(F)CC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)N3CCCCC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)Cc3ccccc3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)NC(C)C)c2)ccn1.CC(=O)Nc1cc(-c2cncc(C(=O)C3CC3)c2)ccn1.
What is the InChIKey of N-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one?
The InChIKey is ZQPMOJWJHSPDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S.C18H19F2N3O3S.C18H21N5O2.C16H15N3O2.C15H19N5O3S/c1-13(24)23-18-10-15(7-8-21-18)16-9-17(19(20)22-11-16)27(25,26)12-14-5-3-2-4-6-14;1-13(24)8-16-9-14(2-5-22-16)15-10-17(12-21-11-15)27(25,26)23-6-3-18(19,20)4-7-23;1-12(24)22-16-10-13(5-6-20-16)14-9-15(17(19)21-11-14)18(25)23-7-3-2-4-8-23;1-10(20)19-15-7-12(4-5-18-15)13-6-14(9-17-8-13)16(21)11-2-3-11;1-9(2)20-24(22,23)13-6-12(8-18-15(13)16)11-4-5-17-14(7-11)19-10(3)21/h2-11H,12H2,1H3,(H2,20,22)(H,21,23,24);2,5,9-12H,3-4,6-8H2,1H3;5-6,9-11H,2-4,7-8H2,1H3,(H2,19,21)(H,20,22,24);4-9,11H,2-3H2,1H3,(H,18,19,20);4-9,20H,1-3H3,(H2,16,18)(H,17,19,21).
What are the key properties of N-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one?
N-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one has a molecular weight of 1748.01 g/mol, XLogP of 11.73, 22 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one is sourced from PubChem (CID 162193320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).