bis(2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide);2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-propylcarbamate;N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide

C106H129BrN26O12 — CID 160806369

About bis(2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide);2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-propylcarbamate;N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide

bis(2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide);2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-propylcarbamate;N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide (PubChem CID 160806369) has the molecular formula C106H129BrN26O12 and a molecular weight of 2039.27 g/mol. Its IUPAC name is bis(2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide);2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-propylcarbamate;N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: bis(2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide);2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-propylcarbamate;N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide
• PubChem CID: 160806369
• Molecular Formula: C106H129BrN26O12
• Molecular Weight: 2039.27 g/mol
• Exact Mass: 2036.95
• IUPAC Name: bis(2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide);2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-propylcarbamate;N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)N[C@H](COCc1ccccc1)c1nnc2c(O)cc(Br)cn12.CCCNC(=O)OCc1cccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.Cc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.Cc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.Cc1ccc2nnc([C@@H](Cc3ccc4ccccc4n3)NC(=O)C(C)(C)N)n2c1
• InChI: InChI=1S/C24H32N6O4.C22H24N6O.C20H23BrN4O3.2C20H25N5O2/c1-4-13-26-23(32)34-15-18-11-8-12-20-28-29-21(30(18)20)19(27-22(31)24(2,3)25)16-33-14-17-9-6-5-7-10-17;1-14-8-11-19-26-27-20(28(19)13-14)18(25-21(29)22(2,3)23)12-16-10-9-15-6-4-5-7-17(15)24-16;1-20(2,3)19(27)22-15(12-28-11-13-7-5-4-6-8-13)17-23-24-18-16(26)9-14(21)10-25(17)18;2*1-14-9-10-17-23-24-18(25(17)11-14)16(22-19(26)20(2,3)21)13-27-12-15-7-5-4-6-8-15/h5-12,19H,4,13-16,25H2,1-3H3,(H,26,32)(H,27,31);4-11,13,18H,12,23H2,1-3H3,(H,25,29);4-10,15,26H,11-12H2,1-3H3,(H,22,27);2*4-11,16H,12-13,21H2,1-3H3,(H,22,26)/t19-;18-;15-;2*16-/m11111/s1
• InChIKey: SDSWWDLDZZLLME-AGRPUHBSSA-N
• XLogP: 13.12
• TPSA: 508.90 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 36
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2039.27
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide);2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-propylcarbamate;N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide?

The IUPAC name of bis(2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide);2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-propylcarbamate;N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide (CID 160806369) is bis(2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide);2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-propylcarbamate;N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide.

What is the SMILES notation for bis(2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide);2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-propylcarbamate;N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide?

The canonical SMILES for bis(2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide);2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-propylcarbamate;N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@H](COCc1ccccc1)c1nnc2c(O)cc(Br)cn12.CCCNC(=O)OCc1cccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.Cc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.Cc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.Cc1ccc2nnc([C@@H](Cc3ccc4ccccc4n3)NC(=O)C(C)(C)N)n2c1.

What is the InChIKey of bis(2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide);2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-propylcarbamate;N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide?

The InChIKey is SDSWWDLDZZLLME-AGRPUHBSSA-N. The full InChI is InChI=1S/C24H32N6O4.C22H24N6O.C20H23BrN4O3.2C20H25N5O2/c1-4-13-26-23(32)34-15-18-11-8-12-20-28-29-21(30(18)20)19(27-22(31)24(2,3)25)16-33-14-17-9-6-5-7-10-17;1-14-8-11-19-26-27-20(28(19)13-14)18(25-21(29)22(2,3)23)12-16-10-9-15-6-4-5-7-17(15)24-16;1-20(2,3)19(27)22-15(12-28-11-13-7-5-4-6-8-13)17-23-24-18-16(26)9-14(21)10-25(17)18;2*1-14-9-10-17-23-24-18(25(17)11-14)16(22-19(26)20(2,3)21)13-27-12-15-7-5-4-6-8-15/h5-12,19H,4,13-16,25H2,1-3H3,(H,26,32)(H,27,31);4-11,13,18H,12,23H2,1-3H3,(H,25,29);4-10,15,26H,11-12H2,1-3H3,(H,22,27);2*4-11,16H,12-13,21H2,1-3H3,(H,22,26)/t19-;18-;15-;2*16-/m11111/s1.

What are the key properties of bis(2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide);2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-propylcarbamate;N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide?

bis(2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide);2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-propylcarbamate;N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide has a molecular weight of 2039.27 g/mol, XLogP of 13.12, 36 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide);2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-propylcarbamate;N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 160806369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).