N-(2-aminoethyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide

C135H144N36O6 — CID 162040817

About N-(2-aminoethyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide

N-(2-aminoethyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide (PubChem CID 162040817) has the molecular formula C135H144N36O6 and a molecular weight of 2366.88 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
• PubChem CID: 162040817
• Molecular Formula: C135H144N36O6
• Molecular Weight: 2366.88 g/mol
• Exact Mass: 2365.21
• IUPAC Name: N-(2-aminoethyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
• SMILES: CCN1CCN(c2cccc3nc(Nc4ccnc(CO)c4)nn23)CC1.Cc1cccc(-c2cccc3nc(Nc4ccc(C(=O)N(C)C)cc4)nn23)c1.Cc1cccc(-c2cccc3nc(Nc4ccc(C(=O)NC5CCNCC5)cc4)nn23)c1.Cc1cccc(-c2cccc3nc(Nc4ccc(C(=O)NCC(C)(C)N)cc4)nn23)c1.Cc1cccc(-c2cccc3nc(Nc4ccc(C(=O)NCCN(C)C)cc4)nn23)c1.Cc1cccc(-c2cccc3nc(Nc4ccc(C(=O)NCCN)cc4)nn23)c1
• InChI: InChI=1S/C25H26N6O.2C24H26N6O.C22H22N6O.C22H21N5O.C18H23N7O/c1-17-4-2-5-19(16-17)22-6-3-7-23-29-25(30-31(22)23)28-20-10-8-18(9-11-20)24(32)27-21-12-14-26-15-13-21;1-16-6-4-7-18(14-16)20-8-5-9-21-28-23(29-30(20)21)27-19-12-10-17(11-13-19)22(31)26-15-24(2,3)25;1-17-6-4-7-19(16-17)21-8-5-9-22-27-24(28-30(21)22)26-20-12-10-18(11-13-20)23(31)25-14-15-29(2)3;1-15-4-2-5-17(14-15)19-6-3-7-20-26-22(27-28(19)20)25-18-10-8-16(9-11-18)21(29)24-13-12-23;1-15-6-4-7-17(14-15)19-8-5-9-20-24-22(25-27(19)20)23-18-12-10-16(11-13-18)21(28)26(2)3;1-2-23-8-10-24(11-9-23)17-5-3-4-16-21-18(22-25(16)17)20-14-6-7-19-15(12-14)13-26/h2-11,16,21,26H,12-15H2,1H3,(H,27,32)(H,28,30);4-14H,15,25H2,1-3H3,(H,26,31)(H,27,29);4-13,16H,14-15H2,1-3H3,(H,25,31)(H,26,28);2-11,14H,12-13,23H2,1H3,(H,24,29)(H,25,27);4-14H,1-3H3,(H,23,25);3-7,12,26H,2,8-11,13H2,1H3,(H,19,20,22)
• InChIKey: YXGGLBNYDZIVGA-UHFFFAOYSA-N
• XLogP: 20.37
• TPSA: 496.94 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 37
• Rotatable Bonds: 33
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2366.88
LogP ≤ 5	20.37
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?

The IUPAC name of N-(2-aminoethyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide (CID 162040817) is N-(2-aminoethyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide.

What is the SMILES notation for N-(2-aminoethyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?

The canonical SMILES for N-(2-aminoethyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide is CCN1CCN(c2cccc3nc(Nc4ccnc(CO)c4)nn23)CC1.Cc1cccc(-c2cccc3nc(Nc4ccc(C(=O)N(C)C)cc4)nn23)c1.Cc1cccc(-c2cccc3nc(Nc4ccc(C(=O)NC5CCNCC5)cc4)nn23)c1.Cc1cccc(-c2cccc3nc(Nc4ccc(C(=O)NCC(C)(C)N)cc4)nn23)c1.Cc1cccc(-c2cccc3nc(Nc4ccc(C(=O)NCCN(C)C)cc4)nn23)c1.Cc1cccc(-c2cccc3nc(Nc4ccc(C(=O)NCCN)cc4)nn23)c1.

What is the InChIKey of N-(2-aminoethyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?

The InChIKey is YXGGLBNYDZIVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O.2C24H26N6O.C22H22N6O.C22H21N5O.C18H23N7O/c1-17-4-2-5-19(16-17)22-6-3-7-23-29-25(30-31(22)23)28-20-10-8-18(9-11-20)24(32)27-21-12-14-26-15-13-21;1-16-6-4-7-18(14-16)20-8-5-9-21-28-23(29-30(20)21)27-19-12-10-17(11-13-19)22(31)26-15-24(2,3)25;1-17-6-4-7-19(16-17)21-8-5-9-22-27-24(28-30(21)22)26-20-12-10-18(11-13-20)23(31)25-14-15-29(2)3;1-15-4-2-5-17(14-15)19-6-3-7-20-26-22(27-28(19)20)25-18-10-8-16(9-11-18)21(29)24-13-12-23;1-15-6-4-7-17(14-15)19-8-5-9-20-24-22(25-27(19)20)23-18-12-10-16(11-13-18)21(28)26(2)3;1-2-23-8-10-24(11-9-23)17-5-3-4-16-21-18(22-25(16)17)20-14-6-7-19-15(12-14)13-26/h2-11,16,21,26H,12-15H2,1H3,(H,27,32)(H,28,30);4-14H,15,25H2,1-3H3,(H,26,31)(H,27,29);4-13,16H,14-15H2,1-3H3,(H,25,31)(H,26,28);2-11,14H,12-13,23H2,1H3,(H,24,29)(H,25,27);4-14H,1-3H3,(H,23,25);3-7,12,26H,2,8-11,13H2,1H3,(H,19,20,22).

What are the key properties of N-(2-aminoethyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?

N-(2-aminoethyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide has a molecular weight of 2366.88 g/mol, XLogP of 20.37, 33 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 162040817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).