2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

C189H203F3N28O6S — CID 161229289

About 2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 161229289) has the molecular formula C189H203F3N28O6S and a molecular weight of 3051.95 g/mol. Its IUPAC name is 2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

• Compound Name: 2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
• PubChem CID: 161229289
• Molecular Formula: C189H203F3N28O6S
• Molecular Weight: 3051.95 g/mol
• Exact Mass: 3049.61
• IUPAC Name: 2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
• SMILES: C=C1C=Cc2ccc(-c3cccnc3C(C)C)cc2N1.CC(=O)Nc1cc(-c2cccnc2C(C)C)ccc1F.CC(C)c1ccccn1.CC(C)c1ncccc1-c1ccc(F)c(N)c1.CC(C)c1ncccc1-c1ccc2c(c1)=NCN=2.CC(C)c1ncccc1-c1ccc2c(c1)CN(C)C2=O.CC(C)c1ncccc1-c1ccc2cc[nH]c(=O)c2c1.CC(C)c1ncccc1-c1cccc2c1CC(=O)N2C.CC(C)c1ncccc1-c1cccnc1.CC(C)c1ncccc1-c1cnc2c(c1)CCCN2.CC(C)c1ncccc1-c1cnn(C)c1.Cc1ccc(-c2nccnc2C(C)C)cc1.Cc1ncccc1-c1ccc(F)c(S(N)(=O)=O)c1
• InChI: InChI=1S/C18H18N2.2C17H18N2O.C17H16N2O.C16H17FN2O.C16H19N3.C15H15N3.C14H15FN2.C14H16N2.C13H14N2.C12H11FN2O2S.C12H15N3.C8H11N/c1-12(2)18-16(5-4-10-19-18)15-9-8-14-7-6-13(3)20-17(14)11-15;1-11(2)17-13(7-5-9-18-17)12-6-4-8-15-14(12)10-16(20)19(15)3;1-11(2)16-14(5-4-8-18-16)12-6-7-15-13(9-12)10-19(3)17(15)20;1-11(2)16-14(4-3-8-18-16)13-6-5-12-7-9-19-17(20)15(12)10-13;1-10(2)16-13(5-4-8-18-16)12-6-7-14(17)15(9-12)19-11(3)20;1-11(2)15-14(6-4-7-17-15)13-9-12-5-3-8-18-16(12)19-10-13;1-10(2)15-12(4-3-7-16-15)11-5-6-13-14(8-11)18-9-17-13;1-9(2)14-11(4-3-7-17-14)10-5-6-12(15)13(16)8-10;1-10(2)13-14(16-9-8-15-13)12-6-4-11(3)5-7-12;1-10(2)13-12(6-4-8-15-13)11-5-3-7-14-9-11;1-8-10(3-2-6-15-8)9-4-5-11(13)12(7-9)18(14,16)17;1-9(2)12-11(5-4-6-13-12)10-7-14-15(3)8-10;1-7(2)8-5-3-4-6-9-8/h4-12,20H,3H2,1-2H3;2*4-9,11H,10H2,1-3H3;3-11H,1-2H3,(H,19,20);4-10H,1-3H3,(H,19,20);4,6-7,9-11H,3,5,8H2,1-2H3,(H,18,19);3-8,10H,9H2,1-2H3;3-9H,16H2,1-2H3;4-10H,1-3H3;3-10H,1-2H3;2-7H,1H3,(H2,14,16,17);4-9H,1-3H3;3-7H,1-2H3
• InChIKey: UYNPUSQHODOVJD-UHFFFAOYSA-N
• XLogP: 42.15
• TPSA: 461.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3051.95
LogP ≤ 5	42.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?

The IUPAC name of 2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 161229289) is 2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.

What is the SMILES notation for 2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?

The canonical SMILES for 2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is C=C1C=Cc2ccc(-c3cccnc3C(C)C)cc2N1.CC(=O)Nc1cc(-c2cccnc2C(C)C)ccc1F.CC(C)c1ccccn1.CC(C)c1ncccc1-c1ccc(F)c(N)c1.CC(C)c1ncccc1-c1ccc2c(c1)=NCN=2.CC(C)c1ncccc1-c1ccc2c(c1)CN(C)C2=O.CC(C)c1ncccc1-c1ccc2cc[nH]c(=O)c2c1.CC(C)c1ncccc1-c1cccc2c1CC(=O)N2C.CC(C)c1ncccc1-c1cccnc1.CC(C)c1ncccc1-c1cnc2c(c1)CCCN2.CC(C)c1ncccc1-c1cnn(C)c1.Cc1ccc(-c2nccnc2C(C)C)cc1.Cc1ncccc1-c1ccc(F)c(S(N)(=O)=O)c1.

What is the InChIKey of 2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?

The InChIKey is UYNPUSQHODOVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2.2C17H18N2O.C17H16N2O.C16H17FN2O.C16H19N3.C15H15N3.C14H15FN2.C14H16N2.C13H14N2.C12H11FN2O2S.C12H15N3.C8H11N/c1-12(2)18-16(5-4-10-19-18)15-9-8-14-7-6-13(3)20-17(14)11-15;1-11(2)17-13(7-5-9-18-17)12-6-4-8-15-14(12)10-16(20)19(15)3;1-11(2)16-14(5-4-8-18-16)12-6-7-15-13(9-12)10-19(3)17(15)20;1-11(2)16-14(4-3-8-18-16)13-6-5-12-7-9-19-17(20)15(12)10-13;1-10(2)16-13(5-4-8-18-16)12-6-7-14(17)15(9-12)19-11(3)20;1-11(2)15-14(6-4-7-17-15)13-9-12-5-3-8-18-16(12)19-10-13;1-10(2)15-12(4-3-7-16-15)11-5-6-13-14(8-11)18-9-17-13;1-9(2)14-11(4-3-7-17-14)10-5-6-12(15)13(16)8-10;1-10(2)13-14(16-9-8-15-13)12-6-4-11(3)5-7-12;1-10(2)13-12(6-4-8-15-13)11-5-3-7-14-9-11;1-8-10(3-2-6-15-8)9-4-5-11(13)12(7-9)18(14,16)17;1-9(2)12-11(5-4-6-13-12)10-7-14-15(3)8-10;1-7(2)8-5-3-4-6-9-8/h4-12,20H,3H2,1-2H3;2*4-9,11H,10H2,1-3H3;3-11H,1-2H3,(H,19,20);4-10H,1-3H3,(H,19,20);4,6-7,9-11H,3,5,8H2,1-2H3,(H,18,19);3-8,10H,9H2,1-2H3;3-9H,16H2,1-2H3;4-10H,1-3H3;3-10H,1-2H3;2-7H,1H3,(H2,14,16,17);4-9H,1-3H3;3-7H,1-2H3.

What are the key properties of 2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?

2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 3051.95 g/mol, XLogP of 42.15, 26 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 161229289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).