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;2-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide;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 N-[5-(benzamidomethyl)-2-pyridinyl]carbamate

C121H122Br2N30O13S4 — CID 159082522

IUPACN-[(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;2-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide;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 N-[5-(benzamidomethyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CN)cn1.CC(C)(C)OC(=O)Nc1ccc(CNC(=O)c2ccccc2)cn1.CC(C)NC(=O)c1cccc(C(=O)NCc2cnc3nc(N)sc3c2)n1.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
InChIInChI=1S/C21H17BrN4O2S.C21H16N4O2S.C18H21N3O3.C17H18N6O2S.C13H12BrN3O.C13H13N3O.C11H17N3O2.C7H8N4S/c22-17-11-14(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;1-9(2)21-16(25)12-5-3-4-11(22-12)15(24)20-8-10-6-13-14(19-7-10)23-17(18)26-13;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/h1-12H,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);3-7,9H,8H2,1-2H3,(H,20,24)(H,21,25)(H2,18,19,23);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)
InChIKeyKBANSFAJNFPDMC-UHFFFAOYSA-N
MW2492.58 g/mol
LogP19.44
Rot. Bonds28

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;2-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide;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 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;2-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide;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 N-[5-(benzamidomethyl)-2-pyridinyl]carbamate (PubChem CID 159082522) has the molecular formula C121H122Br2N30O13S4 and a molecular weight of 2492.58 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;2-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide;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 N-[5-(benzamidomethyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound NameN-[(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;2-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide;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 N-[5-(benzamidomethyl)-2-pyridinyl]carbamate
PubChem CID159082522
Molecular FormulaC121H122Br2N30O13S4
Molecular Weight2492.58 g/mol
Exact Mass2488.71
IUPAC NameN-[(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;2-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide;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 N-[5-(benzamidomethyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CN)cn1.CC(C)(C)OC(=O)Nc1ccc(CNC(=O)c2ccccc2)cn1.CC(C)NC(=O)c1cccc(C(=O)NCc2cnc3nc(N)sc3c2)n1.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
InChIInChI=1S/C21H17BrN4O2S.C21H16N4O2S.C18H21N3O3.C17H18N6O2S.C13H12BrN3O.C13H13N3O.C11H17N3O2.C7H8N4S/c22-17-11-14(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;1-9(2)21-16(25)12-5-3-4-11(22-12)15(24)20-8-10-6-13-14(19-7-10)23-17(18)26-13;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/h1-12H,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);3-7,9H,8H2,1-2H3,(H,20,24)(H,21,25)(H2,18,19,23);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)
InChIKeyKBANSFAJNFPDMC-UHFFFAOYSA-N
XLogP19.44
TPSA661.39 Ų
H-Bond Donors18
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002492.58
LogP ≤ 519.44
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 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;2-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide;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 N-[5-(benzamidomethyl)-2-pyridinyl]carbamate with MolForge

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Related Compounds

benzoyl isothiocyanate;6-bromo-2-chloro-[1,3]thiazolo[4,5-b]pyridine;5-bromo-3-iodopyridin-2-amine;N-[2-(5-bromo-3-iodo-2-pyridinyl)ethanethioyl]benzamide;6-bromo-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-(6-bromo-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide
CID 157652549
N-[7-(4-aminocyclohexen-1-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropanecarboxamide;3-bromo-4-chloropyridin-2-amine;N-[(3-bromo-4-chloro-2-pyridinyl)carbamothioyl]benzamide;(3-bromo-4-chloro-2-pyridinyl)thiourea;3-bromo-2,4-dichloropyridine;tert-butyl N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohex-3-en-1-yl]carbamate;7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-amine;N-(7-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclopropanecarboxamide
CID 159219554
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

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;2-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide;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 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;2-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide;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 N-[5-(benzamidomethyl)-2-pyridinyl]carbamate (CID 159082522) 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;2-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide;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 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;2-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide;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 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;2-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide;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 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)NC(=O)c1cccc(C(=O)NCc2cnc3nc(N)sc3c2)n1.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;2-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide;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 N-[5-(benzamidomethyl)-2-pyridinyl]carbamate?
The InChIKey is KBANSFAJNFPDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O2S.C21H16N4O2S.C18H21N3O3.C17H18N6O2S.C13H12BrN3O.C13H13N3O.C11H17N3O2.C7H8N4S/c22-17-11-14(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;1-9(2)21-16(25)12-5-3-4-11(22-12)15(24)20-8-10-6-13-14(19-7-10)23-17(18)26-13;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/h1-12H,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);3-7,9H,8H2,1-2H3,(H,20,24)(H,21,25)(H2,18,19,23);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;2-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide;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 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;2-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide;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 N-[5-(benzamidomethyl)-2-pyridinyl]carbamate has a molecular weight of 2492.58 g/mol, XLogP of 19.44, 28 rotatable bonds, 18 hydrogen bond donors, and 35 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;2-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide;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 N-[5-(benzamidomethyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 159082522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).