N-[(6-amino-5-bromo-3-pyridinyl)methyl]benzamide;6-(aminomethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-[(6-amino-3-pyridinyl)methyl]benzamide;N-[(2-benzamido-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]benzamide;N-[[6-(benzoylcarbamothioylamino)-5-bromo-3-pyridinyl]methyl]benzamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;tert-butyl N-[5-(benzamidomethyl)-2-pyridinyl]carbamate

C128H126Br2N30O14S5 — CID 159641198

About N-[(6-amino-5-bromo-3-pyridinyl)methyl]benzamide;6-(aminomethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-[(6-amino-3-pyridinyl)methyl]benzamide;N-[(2-benzamido-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]benzamide;N-[[6-(benzoylcarbamothioylamino)-5-bromo-3-pyridinyl]methyl]benzamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;tert-butyl N-[5-(benzamidomethyl)-2-pyridinyl]carbamate

N-[(6-amino-5-bromo-3-pyridinyl)methyl]benzamide;6-(aminomethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-[(6-amino-3-pyridinyl)methyl]benzamide;N-[(2-benzamido-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]benzamide;N-[[6-(benzoylcarbamothioylamino)-5-bromo-3-pyridinyl]methyl]benzamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;tert-butyl N-[5-(benzamidomethyl)-2-pyridinyl]carbamate (PubChem CID 159641198) has the molecular formula C128H126Br2N30O14S5 and a molecular weight of 2628.75 g/mol. Its IUPAC name is N-[(6-amino-5-bromo-3-pyridinyl)methyl]benzamide;6-(aminomethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-[(6-amino-3-pyridinyl)methyl]benzamide;N-[(2-benzamido-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]benzamide;N-[[6-(benzoylcarbamothioylamino)-5-bromo-3-pyridinyl]methyl]benzamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;tert-butyl N-[5-(benzamidomethyl)-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: N-[(6-amino-5-bromo-3-pyridinyl)methyl]benzamide;6-(aminomethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-[(6-amino-3-pyridinyl)methyl]benzamide;N-[(2-benzamido-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]benzamide;N-[[6-(benzoylcarbamothioylamino)-5-bromo-3-pyridinyl]methyl]benzamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;tert-butyl N-[5-(benzamidomethyl)-2-pyridinyl]carbamate
• PubChem CID: 159641198
• Molecular Formula: C128H126Br2N30O14S5
• Molecular Weight: 2628.75 g/mol
• Exact Mass: 2624.70
• IUPAC Name: N-[(6-amino-5-bromo-3-pyridinyl)methyl]benzamide;6-(aminomethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-[(6-amino-3-pyridinyl)methyl]benzamide;N-[(2-benzamido-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]benzamide;N-[[6-(benzoylcarbamothioylamino)-5-bromo-3-pyridinyl]methyl]benzamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;tert-butyl N-[5-(benzamidomethyl)-2-pyridinyl]carbamate
• SMILES: CC(C)(C)OC(=O)Nc1ccc(CN)cn1.CC(C)(C)OC(=O)Nc1ccc(CNC(=O)c2ccccc2)cn1.CC(C)(C)OC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3cnc4nc(N)sc4c3)cccn12.NCc1cnc2nc(N)sc2c1.Nc1ccc(CNC(=O)c2ccccc2)cn1.Nc1ncc(CNC(=O)c2ccccc2)cc1Br.O=C(NCc1cnc(NC(=S)NC(=O)c2ccccc2)c(Br)c1)c1ccccc1.O=C(NCc1cnc2nc(NC(=O)c3ccccc3)sc2c1)c1ccccc1
• InChI: InChI=1S/C24H22N6O3S2.C21H17BrN4O2S.C21H16N4O2S.C18H21N3O3.C13H12BrN3O.C13H13N3O.C11H17N3O2.C7H8N4S/c1-24(2,3)33-22(32)18-17(14-6-8-34-12-14)28-20-15(5-4-7-30(18)20)21(31)27-11-13-9-16-19(26-10-13)29-23(25)35-16;22-17-11-14(13-24-19(27)15-7-3-1-4-8-15)12-23-18(17)25-21(29)26-20(28)16-9-5-2-6-10-16;26-19(15-7-3-1-4-8-15)23-13-14-11-17-18(22-12-14)24-21(28-17)25-20(27)16-9-5-2-6-10-16;1-18(2,3)24-17(23)21-15-10-9-13(11-19-15)12-20-16(22)14-7-5-4-6-8-14;14-11-6-9(7-16-12(11)15)8-17-13(18)10-4-2-1-3-5-10;14-12-7-6-10(8-15-12)9-16-13(17)11-4-2-1-3-5-11;1-11(2,3)16-10(15)14-9-5-4-8(6-12)7-13-9;8-2-4-1-5-6(10-3-4)11-7(9)12-5/h4-10,12H,11H2,1-3H3,(H,27,31)(H2,25,26,29);1-12H,13H2,(H,24,27)(H2,23,25,26,28,29);1-12H,13H2,(H,23,26)(H,22,24,25,27);4-11H,12H2,1-3H3,(H,20,22)(H,19,21,23);1-7H,8H2,(H2,15,16)(H,17,18);1-8H,9H2,(H2,14,15)(H,16,17);4-5,7H,6,12H2,1-3H3,(H,13,14,15);1,3H,2,8H2,(H2,9,10,11)
• InChIKey: MQJJPYWVLRIXCL-UHFFFAOYSA-N
• XLogP: 22.24
• TPSA: 663.00 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 38
• Rotatable Bonds: 28
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2628.75
LogP ≤ 5	22.24
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-5-bromo-3-pyridinyl)methyl]benzamide;6-(aminomethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-[(6-amino-3-pyridinyl)methyl]benzamide;N-[(2-benzamido-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]benzamide;N-[[6-(benzoylcarbamothioylamino)-5-bromo-3-pyridinyl]methyl]benzamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;tert-butyl N-[5-(benzamidomethyl)-2-pyridinyl]carbamate?

The IUPAC name of N-[(6-amino-5-bromo-3-pyridinyl)methyl]benzamide;6-(aminomethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-[(6-amino-3-pyridinyl)methyl]benzamide;N-[(2-benzamido-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]benzamide;N-[[6-(benzoylcarbamothioylamino)-5-bromo-3-pyridinyl]methyl]benzamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;tert-butyl N-[5-(benzamidomethyl)-2-pyridinyl]carbamate (CID 159641198) is N-[(6-amino-5-bromo-3-pyridinyl)methyl]benzamide;6-(aminomethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-[(6-amino-3-pyridinyl)methyl]benzamide;N-[(2-benzamido-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]benzamide;N-[[6-(benzoylcarbamothioylamino)-5-bromo-3-pyridinyl]methyl]benzamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;tert-butyl N-[5-(benzamidomethyl)-2-pyridinyl]carbamate.

What is the SMILES notation for N-[(6-amino-5-bromo-3-pyridinyl)methyl]benzamide;6-(aminomethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-[(6-amino-3-pyridinyl)methyl]benzamide;N-[(2-benzamido-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]benzamide;N-[[6-(benzoylcarbamothioylamino)-5-bromo-3-pyridinyl]methyl]benzamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;tert-butyl N-[5-(benzamidomethyl)-2-pyridinyl]carbamate?

The canonical SMILES for N-[(6-amino-5-bromo-3-pyridinyl)methyl]benzamide;6-(aminomethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-[(6-amino-3-pyridinyl)methyl]benzamide;N-[(2-benzamido-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]benzamide;N-[[6-(benzoylcarbamothioylamino)-5-bromo-3-pyridinyl]methyl]benzamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;tert-butyl N-[5-(benzamidomethyl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CN)cn1.CC(C)(C)OC(=O)Nc1ccc(CNC(=O)c2ccccc2)cn1.CC(C)(C)OC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3cnc4nc(N)sc4c3)cccn12.NCc1cnc2nc(N)sc2c1.Nc1ccc(CNC(=O)c2ccccc2)cn1.Nc1ncc(CNC(=O)c2ccccc2)cc1Br.O=C(NCc1cnc(NC(=S)NC(=O)c2ccccc2)c(Br)c1)c1ccccc1.O=C(NCc1cnc2nc(NC(=O)c3ccccc3)sc2c1)c1ccccc1.

What is the InChIKey of N-[(6-amino-5-bromo-3-pyridinyl)methyl]benzamide;6-(aminomethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-[(6-amino-3-pyridinyl)methyl]benzamide;N-[(2-benzamido-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]benzamide;N-[[6-(benzoylcarbamothioylamino)-5-bromo-3-pyridinyl]methyl]benzamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;tert-butyl N-[5-(benzamidomethyl)-2-pyridinyl]carbamate?

The InChIKey is MQJJPYWVLRIXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3S2.C21H17BrN4O2S.C21H16N4O2S.C18H21N3O3.C13H12BrN3O.C13H13N3O.C11H17N3O2.C7H8N4S/c1-24(2,3)33-22(32)18-17(14-6-8-34-12-14)28-20-15(5-4-7-30(18)20)21(31)27-11-13-9-16-19(26-10-13)29-23(25)35-16;22-17-11-14(13-24-19(27)15-7-3-1-4-8-15)12-23-18(17)25-21(29)26-20(28)16-9-5-2-6-10-16;26-19(15-7-3-1-4-8-15)23-13-14-11-17-18(22-12-14)24-21(28-17)25-20(27)16-9-5-2-6-10-16;1-18(2,3)24-17(23)21-15-10-9-13(11-19-15)12-20-16(22)14-7-5-4-6-8-14;14-11-6-9(7-16-12(11)15)8-17-13(18)10-4-2-1-3-5-10;14-12-7-6-10(8-15-12)9-16-13(17)11-4-2-1-3-5-11;1-11(2,3)16-10(15)14-9-5-4-8(6-12)7-13-9;8-2-4-1-5-6(10-3-4)11-7(9)12-5/h4-10,12H,11H2,1-3H3,(H,27,31)(H2,25,26,29);1-12H,13H2,(H,24,27)(H2,23,25,26,28,29);1-12H,13H2,(H,23,26)(H,22,24,25,27);4-11H,12H2,1-3H3,(H,20,22)(H,19,21,23);1-7H,8H2,(H2,15,16)(H,17,18);1-8H,9H2,(H2,14,15)(H,16,17);4-5,7H,6,12H2,1-3H3,(H,13,14,15);1,3H,2,8H2,(H2,9,10,11).

What are the key properties of N-[(6-amino-5-bromo-3-pyridinyl)methyl]benzamide;6-(aminomethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-[(6-amino-3-pyridinyl)methyl]benzamide;N-[(2-benzamido-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]benzamide;N-[[6-(benzoylcarbamothioylamino)-5-bromo-3-pyridinyl]methyl]benzamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;tert-butyl N-[5-(benzamidomethyl)-2-pyridinyl]carbamate?

N-[(6-amino-5-bromo-3-pyridinyl)methyl]benzamide;6-(aminomethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-[(6-amino-3-pyridinyl)methyl]benzamide;N-[(2-benzamido-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]benzamide;N-[[6-(benzoylcarbamothioylamino)-5-bromo-3-pyridinyl]methyl]benzamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;tert-butyl N-[5-(benzamidomethyl)-2-pyridinyl]carbamate has a molecular weight of 2628.75 g/mol, XLogP of 22.24, 28 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-5-bromo-3-pyridinyl)methyl]benzamide;6-(aminomethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-[(6-amino-3-pyridinyl)methyl]benzamide;N-[(2-benzamido-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]benzamide;N-[[6-(benzoylcarbamothioylamino)-5-bromo-3-pyridinyl]methyl]benzamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;tert-butyl N-[5-(benzamidomethyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 159641198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).