6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide;6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-amino-N-[3-[3-[3-fluoro-4-[(2-hydroxyethylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;3-bromo-2-methylaniline;2-fluoro-6-methoxy-4-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzaldehyde

C105H105BBr2F3N13O13 — CID 159988875

About 6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide;6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-amino-N-[3-[3-[3-fluoro-4-[(2-hydroxyethylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;3-bromo-2-methylaniline;2-fluoro-6-methoxy-4-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzaldehyde

6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide;6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-amino-N-[3-[3-[3-fluoro-4-[(2-hydroxyethylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;3-bromo-2-methylaniline;2-fluoro-6-methoxy-4-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzaldehyde (PubChem CID 159988875) has the molecular formula C105H105BBr2F3N13O13 and a molecular weight of 1984.69 g/mol. Its IUPAC name is 6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide;6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-amino-N-[3-[3-[3-fluoro-4-[(2-hydroxyethylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;3-bromo-2-methylaniline;2-fluoro-6-methoxy-4-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzaldehyde.

Molecular Properties

• Compound Name: 6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide;6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-amino-N-[3-[3-[3-fluoro-4-[(2-hydroxyethylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;3-bromo-2-methylaniline;2-fluoro-6-methoxy-4-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzaldehyde
• PubChem CID: 159988875
• Molecular Formula: C105H105BBr2F3N13O13
• Molecular Weight: 1984.69 g/mol
• Exact Mass: 1981.64
• IUPAC Name: 6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide;6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-amino-N-[3-[3-[3-fluoro-4-[(2-hydroxyethylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;3-bromo-2-methylaniline;2-fluoro-6-methoxy-4-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzaldehyde
• SMILES: COc1cc(-c2cccc(-c3cccc(NC(=O)c4ccc(N)nc4)c3C)c2C)cc(F)c1C=O.COc1cc(-c2cccc(-c3cccc(NC(=O)c4ccc(N)nc4)c3C)c2C)cc(F)c1CNCCO.COc1cc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2C)cc(F)c1C=O.Cc1c(Br)cccc1NC(=O)c1ccc(N)nc1.Cc1c(N)cccc1Br.Nc1ccc(C(=O)O)cn1
• InChI: InChI=1S/C30H31FN4O3.C28H24FN3O3.C21H24BFO4.C13H12BrN3O.C7H8BrN.C6H6N2O2/c1-18-22(21-14-26(31)25(17-33-12-13-36)28(15-21)38-3)6-4-7-23(18)24-8-5-9-27(19(24)2)35-30(37)20-10-11-29(32)34-16-20;1-16-20(19-12-24(29)23(15-33)26(13-19)35-3)6-4-7-21(16)22-8-5-9-25(17(22)2)32-28(34)18-10-11-27(30)31-14-18;1-13-15(14-10-18(23)16(12-24)19(11-14)25-6)8-7-9-17(13)22-26-20(2,3)21(4,5)27-22;1-8-10(14)3-2-4-11(8)17-13(18)9-5-6-12(15)16-7-9;1-5-6(8)3-2-4-7(5)9;7-5-2-1-4(3-8-5)6(9)10/h4-11,14-16,33,36H,12-13,17H2,1-3H3,(H2,32,34)(H,35,37);4-15H,1-3H3,(H2,30,31)(H,32,34);7-12H,1-6H3;2-7H,1H3,(H2,15,16)(H,17,18);2-4H,9H2,1H3;1-3H,(H2,7,8)(H,9,10)
• InChIKey: OGRMMTVWVCEUCL-UHFFFAOYSA-N
• XLogP: 20.53
• TPSA: 418.81 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1984.69
LogP ≤ 5	20.53
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide;6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-amino-N-[3-[3-[3-fluoro-4-[(2-hydroxyethylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;3-bromo-2-methylaniline;2-fluoro-6-methoxy-4-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzaldehyde?

The IUPAC name of 6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide;6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-amino-N-[3-[3-[3-fluoro-4-[(2-hydroxyethylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;3-bromo-2-methylaniline;2-fluoro-6-methoxy-4-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzaldehyde (CID 159988875) is 6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide;6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-amino-N-[3-[3-[3-fluoro-4-[(2-hydroxyethylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;3-bromo-2-methylaniline;2-fluoro-6-methoxy-4-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzaldehyde.

What is the SMILES notation for 6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide;6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-amino-N-[3-[3-[3-fluoro-4-[(2-hydroxyethylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;3-bromo-2-methylaniline;2-fluoro-6-methoxy-4-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzaldehyde?

The canonical SMILES for 6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide;6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-amino-N-[3-[3-[3-fluoro-4-[(2-hydroxyethylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;3-bromo-2-methylaniline;2-fluoro-6-methoxy-4-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzaldehyde is COc1cc(-c2cccc(-c3cccc(NC(=O)c4ccc(N)nc4)c3C)c2C)cc(F)c1C=O.COc1cc(-c2cccc(-c3cccc(NC(=O)c4ccc(N)nc4)c3C)c2C)cc(F)c1CNCCO.COc1cc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2C)cc(F)c1C=O.Cc1c(Br)cccc1NC(=O)c1ccc(N)nc1.Cc1c(N)cccc1Br.Nc1ccc(C(=O)O)cn1.

What is the InChIKey of 6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide;6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-amino-N-[3-[3-[3-fluoro-4-[(2-hydroxyethylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;3-bromo-2-methylaniline;2-fluoro-6-methoxy-4-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzaldehyde?

The InChIKey is OGRMMTVWVCEUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O3.C28H24FN3O3.C21H24BFO4.C13H12BrN3O.C7H8BrN.C6H6N2O2/c1-18-22(21-14-26(31)25(17-33-12-13-36)28(15-21)38-3)6-4-7-23(18)24-8-5-9-27(19(24)2)35-30(37)20-10-11-29(32)34-16-20;1-16-20(19-12-24(29)23(15-33)26(13-19)35-3)6-4-7-21(16)22-8-5-9-25(17(22)2)32-28(34)18-10-11-27(30)31-14-18;1-13-15(14-10-18(23)16(12-24)19(11-14)25-6)8-7-9-17(13)22-26-20(2,3)21(4,5)27-22;1-8-10(14)3-2-4-11(8)17-13(18)9-5-6-12(15)16-7-9;1-5-6(8)3-2-4-7(5)9;7-5-2-1-4(3-8-5)6(9)10/h4-11,14-16,33,36H,12-13,17H2,1-3H3,(H2,32,34)(H,35,37);4-15H,1-3H3,(H2,30,31)(H,32,34);7-12H,1-6H3;2-7H,1H3,(H2,15,16)(H,17,18);2-4H,9H2,1H3;1-3H,(H2,7,8)(H,9,10).

What are the key properties of 6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide;6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-amino-N-[3-[3-[3-fluoro-4-[(2-hydroxyethylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;3-bromo-2-methylaniline;2-fluoro-6-methoxy-4-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzaldehyde?

6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide;6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-amino-N-[3-[3-[3-fluoro-4-[(2-hydroxyethylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;3-bromo-2-methylaniline;2-fluoro-6-methoxy-4-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzaldehyde has a molecular weight of 1984.69 g/mol, XLogP of 20.53, 22 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide;6-amino-N-[3-[3-(3-fluoro-4-formyl-5-methoxyphenyl)-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-amino-N-[3-[3-[3-fluoro-4-[(2-hydroxyethylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-3-carboxamide;6-aminopyridine-3-carboxylic acid;3-bromo-2-methylaniline;2-fluoro-6-methoxy-4-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzaldehyde is sourced from PubChem (CID 159988875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).