5-(2-acetamido-4-pyridinyl)-N,N,2-trimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclohexylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide

C94H104N20O14S3 — CID 158962052

IUPAC5-(2-acetamido-4-pyridinyl)-N,N,2-trimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclohexylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(C(=O)N(C)C)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)C3CCCCC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)N3CCc4ccccc43)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)NCC(C)C)c2)ccn1.COc1ccccc1S(=O)(=O)Nc1cc(-c2ccnc(CC(C)=O)c2)cnc1C
InChIInChI=1S/C21H19N5O2.C21H21N3O4S.C20H25N3O3S.C16H21N5O3S.C16H18N4O2/c1-13(27)25-19-11-15(6-8-23-19)16-10-17(20(22)24-12-16)21(28)26-9-7-14-4-2-3-5-18(14)26;1-14(25)10-18-11-16(8-9-22-18)17-12-19(15(2)23-13-17)24-29(26,27)21-7-5-4-6-20(21)28-3;1-14-18(13-27(25,26)19-6-4-3-5-7-19)10-17(12-22-14)16-8-9-21-20(11-16)23-15(2)24;1-10(2)8-20-25(23,24)14-6-13(9-19-16(14)17)12-4-5-18-15(7-12)21-11(3)22;1-10-14(16(22)20(3)4)7-13(9-18-10)12-5-6-17-15(8-12)19-11(2)21/h2-6,8,10-12H,7,9H2,1H3,(H2,22,24)(H,23,25,27);4-9,11-13,24H,10H2,1-3H3;8-12,19H,3-7,13H2,1-2H3,(H,21,23,24);4-7,9-10,20H,8H2,1-3H3,(H2,17,19)(H,18,21,22);5-9H,1-4H3,(H,17,19,21)
InChIKeyJMSYBBKEGGOJGM-UHFFFAOYSA-N
MW1834.19 g/mol
LogP13.67
Rot. Bonds24

About 5-(2-acetamido-4-pyridinyl)-N,N,2-trimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclohexylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide

5-(2-acetamido-4-pyridinyl)-N,N,2-trimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclohexylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide (PubChem CID 158962052) has the molecular formula C94H104N20O14S3 and a molecular weight of 1834.19 g/mol. Its IUPAC name is 5-(2-acetamido-4-pyridinyl)-N,N,2-trimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclohexylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(2-acetamido-4-pyridinyl)-N,N,2-trimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclohexylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
PubChem CID158962052
Molecular FormulaC94H104N20O14S3
Molecular Weight1834.19 g/mol
Exact Mass1832.72
IUPAC Name5-(2-acetamido-4-pyridinyl)-N,N,2-trimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclohexylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(C(=O)N(C)C)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)C3CCCCC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)N3CCc4ccccc43)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)NCC(C)C)c2)ccn1.COc1ccccc1S(=O)(=O)Nc1cc(-c2ccnc(CC(C)=O)c2)cnc1C
InChIInChI=1S/C21H19N5O2.C21H21N3O4S.C20H25N3O3S.C16H21N5O3S.C16H18N4O2/c1-13(27)25-19-11-15(6-8-23-19)16-10-17(20(22)24-12-16)21(28)26-9-7-14-4-2-3-5-18(14)26;1-14(25)10-18-11-16(8-9-22-18)17-12-19(15(2)23-13-17)24-29(26,27)21-7-5-4-6-20(21)28-3;1-14-18(13-27(25,26)19-6-4-3-5-7-19)10-17(12-22-14)16-8-9-21-20(11-16)23-15(2)24;1-10(2)8-20-25(23,24)14-6-13(9-19-16(14)17)12-4-5-18-15(7-12)21-11(3)22;1-10-14(16(22)20(3)4)7-13(9-18-10)12-5-6-17-15(8-12)19-11(2)21/h2-6,8,10-12H,7,9H2,1H3,(H2,22,24)(H,23,25,27);4-9,11-13,24H,10H2,1-3H3;8-12,19H,3-7,13H2,1-2H3,(H,21,23,24);4-7,9-10,20H,8H2,1-3H3,(H2,17,19)(H,18,21,22);5-9H,1-4H3,(H,17,19,21)
InChIKeyJMSYBBKEGGOJGM-UHFFFAOYSA-N
XLogP13.67
TPSA490.74 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001834.19
LogP ≤ 513.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 5-(2-acetamido-4-pyridinyl)-N,N,2-trimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclohexylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-4-pyridinyl)-N,N,2-trimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclohexylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 5-(2-acetamido-4-pyridinyl)-N,N,2-trimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclohexylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide (CID 158962052) is 5-(2-acetamido-4-pyridinyl)-N,N,2-trimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclohexylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 5-(2-acetamido-4-pyridinyl)-N,N,2-trimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclohexylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 5-(2-acetamido-4-pyridinyl)-N,N,2-trimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclohexylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide is CC(=O)Nc1cc(-c2cnc(C)c(C(=O)N(C)C)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)C3CCCCC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)N3CCc4ccccc43)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)NCC(C)C)c2)ccn1.COc1ccccc1S(=O)(=O)Nc1cc(-c2ccnc(CC(C)=O)c2)cnc1C.
What is the InChIKey of 5-(2-acetamido-4-pyridinyl)-N,N,2-trimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclohexylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is JMSYBBKEGGOJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2.C21H21N3O4S.C20H25N3O3S.C16H21N5O3S.C16H18N4O2/c1-13(27)25-19-11-15(6-8-23-19)16-10-17(20(22)24-12-16)21(28)26-9-7-14-4-2-3-5-18(14)26;1-14(25)10-18-11-16(8-9-22-18)17-12-19(15(2)23-13-17)24-29(26,27)21-7-5-4-6-20(21)28-3;1-14-18(13-27(25,26)19-6-4-3-5-7-19)10-17(12-22-14)16-8-9-21-20(11-16)23-15(2)24;1-10(2)8-20-25(23,24)14-6-13(9-19-16(14)17)12-4-5-18-15(7-12)21-11(3)22;1-10-14(16(22)20(3)4)7-13(9-18-10)12-5-6-17-15(8-12)19-11(2)21/h2-6,8,10-12H,7,9H2,1H3,(H2,22,24)(H,23,25,27);4-9,11-13,24H,10H2,1-3H3;8-12,19H,3-7,13H2,1-2H3,(H,21,23,24);4-7,9-10,20H,8H2,1-3H3,(H2,17,19)(H,18,21,22);5-9H,1-4H3,(H,17,19,21).
What are the key properties of 5-(2-acetamido-4-pyridinyl)-N,N,2-trimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclohexylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?
5-(2-acetamido-4-pyridinyl)-N,N,2-trimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclohexylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 1834.19 g/mol, XLogP of 13.67, 24 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,2-trimethylpyridine-3-carboxamide;N-[4-[6-amino-5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(2-methylpropylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclohexylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;2-methoxy-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 158962052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).