5-(2-acetamido-4-pyridinyl)-N,N-dimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(cyclopropylmethylsulfamoyl)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-methylphenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide

C81H88N20O14S4 — CID 158189115

IUPAC5-(2-acetamido-4-pyridinyl)-N,N-dimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(cyclopropylmethylsulfamoyl)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-methylphenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)Cc3ccccc3C)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)NCC3CC3)c2C)ccn1.CC(=O)Nc1cc(-c2cncc(C(=O)N(C)C)c2)ccn1.CC(=O)Nc1cc(-c2cncc(S(=O)(=O)N3CCCC3)c2)ccn1.CC(=O)Nc1cc(-c2cncc(S(C)(=O)=O)c2)ccn1
InChIInChI=1S/C20H20N4O3S.C17H21N5O3S.C16H18N4O3S.C15H16N4O2.C13H13N3O3S/c1-13-5-3-4-6-16(13)12-28(26,27)18-9-17(11-23-20(18)21)15-7-8-22-19(10-15)24-14(2)25;1-10-14(13-5-6-19-15(7-13)22-11(2)23)9-20-17(18)16(10)26(24,25)21-8-12-3-4-12;1-12(21)19-16-9-13(4-5-18-16)14-8-15(11-17-10-14)24(22,23)20-6-2-3-7-20;1-10(20)18-14-7-11(4-5-17-14)12-6-13(9-16-8-12)15(21)19(2)3;1-9(17)16-13-6-10(3-4-15-13)11-5-12(8-14-7-11)20(2,18)19/h3-11H,12H2,1-2H3,(H2,21,23)(H,22,24,25);5-7,9,12,21H,3-4,8H2,1-2H3,(H2,18,20)(H,19,22,23);4-5,8-11H,2-3,6-7H2,1H3,(H,18,19,21);4-9H,1-3H3,(H,17,18,20);3-8H,1-2H3,(H,15,16,17)
InChIKeyFZNFUEBQFPWWDL-UHFFFAOYSA-N
MW1693.99 g/mol
LogP9.84
Rot. Bonds21

About 5-(2-acetamido-4-pyridinyl)-N,N-dimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(cyclopropylmethylsulfamoyl)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-methylphenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide

5-(2-acetamido-4-pyridinyl)-N,N-dimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(cyclopropylmethylsulfamoyl)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-methylphenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide (PubChem CID 158189115) has the molecular formula C81H88N20O14S4 and a molecular weight of 1693.99 g/mol. Its IUPAC name is 5-(2-acetamido-4-pyridinyl)-N,N-dimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(cyclopropylmethylsulfamoyl)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-methylphenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name5-(2-acetamido-4-pyridinyl)-N,N-dimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(cyclopropylmethylsulfamoyl)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-methylphenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide
PubChem CID158189115
Molecular FormulaC81H88N20O14S4
Molecular Weight1693.99 g/mol
Exact Mass1692.57
IUPAC Name5-(2-acetamido-4-pyridinyl)-N,N-dimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(cyclopropylmethylsulfamoyl)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-methylphenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)Cc3ccccc3C)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)NCC3CC3)c2C)ccn1.CC(=O)Nc1cc(-c2cncc(C(=O)N(C)C)c2)ccn1.CC(=O)Nc1cc(-c2cncc(S(=O)(=O)N3CCCC3)c2)ccn1.CC(=O)Nc1cc(-c2cncc(S(C)(=O)=O)c2)ccn1
InChIInChI=1S/C20H20N4O3S.C17H21N5O3S.C16H18N4O3S.C15H16N4O2.C13H13N3O3S/c1-13-5-3-4-6-16(13)12-28(26,27)18-9-17(11-23-20(18)21)15-7-8-22-19(10-15)24-14(2)25;1-10-14(13-5-6-19-15(7-13)22-11(2)23)9-20-17(18)16(10)26(24,25)21-8-12-3-4-12;1-12(21)19-16-9-13(4-5-18-16)14-8-15(11-17-10-14)24(22,23)20-6-2-3-7-20;1-10(20)18-14-7-11(4-5-17-14)12-6-13(9-16-8-12)15(21)19(2)3;1-9(17)16-13-6-10(3-4-15-13)11-5-12(8-14-7-11)20(2,18)19/h3-11H,12H2,1-2H3,(H2,21,23)(H,22,24,25);5-7,9,12,21H,3-4,8H2,1-2H3,(H2,18,20)(H,19,22,23);4-5,8-11H,2-3,6-7H2,1H3,(H,18,19,21);4-9H,1-3H3,(H,17,18,20);3-8H,1-2H3,(H,15,16,17)
InChIKeyFZNFUEBQFPWWDL-UHFFFAOYSA-N
XLogP9.84
TPSA498.58 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001693.99
LogP ≤ 59.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 5-(2-acetamido-4-pyridinyl)-N,N-dimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(cyclopropylmethylsulfamoyl)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-methylphenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide with MolForge

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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
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
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-[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
2-[5-[[[3-[[2-[5-[[[3-[[2-(4,4-difluoroazepan-1-yl)-4-methyl-5-methylsulfonylpyridine-3-carbonyl]amino]phenyl]sulfonimidoyl]methyl]-4,4-difluoroazepan-1-yl]-4-methyl-5-(2-methyl-3-pyridinyl)pyridine-3-carbonyl]amino]phenyl]sulfonimidoyl]methyl]-4,4-difluoroazepan-1-yl]-5-(6-fluoro-3-pyridinyl)-4-methyl-N-[3-(methylsulfonimidoyl)phenyl]pyridine-3-carboxamide
CID 170206779
6-(5-ethylsulfonyl-3-pyridinyl)-8-[4-(1-methylsulfonylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094689
6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(ethylamino)-N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]pyridine-3-carboxamide;6-[6-[(6-amino-3-pyridinyl)methylcarbamoylamino]hexyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide
CID 87114519
2-chloro-4-methylpyrimidine;N-ethyl-N-propan-2-ylpropan-2-amine;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6-(4-methylpyrimidin-2-yl)-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide
CID 157482589
2-(4-Cyclohexylanilino)-6-[5-(cyclopropyl-methylidene-oxo-lambda6-sulfanyl)-2-pyridinyl]-8-ethylpyrido[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;8-[(2-methylphenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 157902679
5-(2-acetamido-4-pyridinyl)-2-amino-N-(1-bicyclo[1.1.1]pentanyl)pyridine-3-carboxamide;N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide
CID 158101880

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-4-pyridinyl)-N,N-dimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(cyclopropylmethylsulfamoyl)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-methylphenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide?
The IUPAC name of 5-(2-acetamido-4-pyridinyl)-N,N-dimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(cyclopropylmethylsulfamoyl)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-methylphenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide (CID 158189115) is 5-(2-acetamido-4-pyridinyl)-N,N-dimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(cyclopropylmethylsulfamoyl)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-methylphenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 5-(2-acetamido-4-pyridinyl)-N,N-dimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(cyclopropylmethylsulfamoyl)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-methylphenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide?
The canonical SMILES for 5-(2-acetamido-4-pyridinyl)-N,N-dimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(cyclopropylmethylsulfamoyl)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-methylphenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)Cc3ccccc3C)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)NCC3CC3)c2C)ccn1.CC(=O)Nc1cc(-c2cncc(C(=O)N(C)C)c2)ccn1.CC(=O)Nc1cc(-c2cncc(S(=O)(=O)N3CCCC3)c2)ccn1.CC(=O)Nc1cc(-c2cncc(S(C)(=O)=O)c2)ccn1.
What is the InChIKey of 5-(2-acetamido-4-pyridinyl)-N,N-dimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(cyclopropylmethylsulfamoyl)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-methylphenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide?
The InChIKey is FZNFUEBQFPWWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S.C17H21N5O3S.C16H18N4O3S.C15H16N4O2.C13H13N3O3S/c1-13-5-3-4-6-16(13)12-28(26,27)18-9-17(11-23-20(18)21)15-7-8-22-19(10-15)24-14(2)25;1-10-14(13-5-6-19-15(7-13)22-11(2)23)9-20-17(18)16(10)26(24,25)21-8-12-3-4-12;1-12(21)19-16-9-13(4-5-18-16)14-8-15(11-17-10-14)24(22,23)20-6-2-3-7-20;1-10(20)18-14-7-11(4-5-17-14)12-6-13(9-16-8-12)15(21)19(2)3;1-9(17)16-13-6-10(3-4-15-13)11-5-12(8-14-7-11)20(2,18)19/h3-11H,12H2,1-2H3,(H2,21,23)(H,22,24,25);5-7,9,12,21H,3-4,8H2,1-2H3,(H2,18,20)(H,19,22,23);4-5,8-11H,2-3,6-7H2,1H3,(H,18,19,21);4-9H,1-3H3,(H,17,18,20);3-8H,1-2H3,(H,15,16,17).
What are the key properties of 5-(2-acetamido-4-pyridinyl)-N,N-dimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(cyclopropylmethylsulfamoyl)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-methylphenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide?
5-(2-acetamido-4-pyridinyl)-N,N-dimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(cyclopropylmethylsulfamoyl)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-methylphenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide has a molecular weight of 1693.99 g/mol, XLogP of 9.84, 21 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-4-pyridinyl)-N,N-dimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(cyclopropylmethylsulfamoyl)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-methylphenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-(5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 158189115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).