N-[6-[[(E)-3-(4-amino-3-pyridinyl)prop-2-enoyl]amino]hexyl]-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[[6-[1-(1H-imidazo[4,5-b]pyridin-6-yl)ethenyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(5-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C105H126N22O9 — CID 160854333

About N-[6-[[(E)-3-(4-amino-3-pyridinyl)prop-2-enoyl]amino]hexyl]-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[[6-[1-(1H-imidazo[4,5-b]pyridin-6-yl)ethenyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(5-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[6-[[(E)-3-(4-amino-3-pyridinyl)prop-2-enoyl]amino]hexyl]-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[[6-[1-(1H-imidazo[4,5-b]pyridin-6-yl)ethenyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(5-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 160854333) has the molecular formula C105H126N22O9 and a molecular weight of 1840.31 g/mol. Its IUPAC name is N-[6-[[(E)-3-(4-amino-3-pyridinyl)prop-2-enoyl]amino]hexyl]-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[[6-[1-(1H-imidazo[4,5-b]pyridin-6-yl)ethenyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(5-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-[[(E)-3-(4-amino-3-pyridinyl)prop-2-enoyl]amino]hexyl]-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[[6-[1-(1H-imidazo[4,5-b]pyridin-6-yl)ethenyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(5-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 160854333
• Molecular Formula: C105H126N22O9
• Molecular Weight: 1840.31 g/mol
• Exact Mass: 1839.01
• IUPAC Name: N-[6-[[(E)-3-(4-amino-3-pyridinyl)prop-2-enoyl]amino]hexyl]-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[[6-[1-(1H-imidazo[4,5-b]pyridin-6-yl)ethenyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(5-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
• SMILES: C=C(c1cnc2nc[nH]c2c1)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.CCN(CCCCCCNC(=O)/C=C/c1cnccc1N)C(=O)c1ccc(CN2CCN(C)CC2)cc1.CN1CCN(Cc2cccc(C(=O)N3CCC4(CC3)CC4CNC(=O)c3cc4cnccc4[nH]3)c2)CC1.Cc1ccc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)nc1
• InChI: InChI=1S/C29H36N6O2.C29H42N6O2.C24H24N6O2.C23H24N4O3/c1-33-11-13-34(14-12-33)20-21-3-2-4-22(15-21)28(37)35-9-6-29(7-10-35)17-24(29)19-31-27(36)26-16-23-18-30-8-5-25(23)32-26;1-3-35(29(37)25-10-8-24(9-11-25)23-34-20-18-33(2)19-21-34)17-7-5-4-6-15-32-28(36)13-12-26-22-31-16-14-27(26)30;1-15(17-8-19-22(26-11-17)29-14-28-19)30-6-3-24(4-7-30)10-18(24)12-27-23(31)20-9-16-2-5-25-13-21(16)32-20;1-15-2-3-18(25-12-15)22(29)27-8-5-23(6-9-27)11-17(23)13-26-21(28)19-10-16-4-7-24-14-20(16)30-19/h2-5,8,15-16,18,24,32H,6-7,9-14,17,19-20H2,1H3,(H,31,36);8-14,16,22H,3-7,15,17-21,23H2,1-2H3,(H2,30,31)(H,32,36);2,5,8-9,11,13-14,18H,1,3-4,6-7,10,12H2,(H,27,31)(H,26,28,29);2-4,7,10,12,14,17H,5-6,8-9,11,13H2,1H3,(H,26,28)/b;13-12+
• InChIKey: SJRCXJGDABNPCJ-QLYCOYKZSA-N
• XLogP: 13.05
• TPSA: 367.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1840.31
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[[(E)-3-(4-amino-3-pyridinyl)prop-2-enoyl]amino]hexyl]-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[[6-[1-(1H-imidazo[4,5-b]pyridin-6-yl)ethenyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(5-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[6-[[(E)-3-(4-amino-3-pyridinyl)prop-2-enoyl]amino]hexyl]-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[[6-[1-(1H-imidazo[4,5-b]pyridin-6-yl)ethenyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(5-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 160854333) is N-[6-[[(E)-3-(4-amino-3-pyridinyl)prop-2-enoyl]amino]hexyl]-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[[6-[1-(1H-imidazo[4,5-b]pyridin-6-yl)ethenyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(5-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[6-[[(E)-3-(4-amino-3-pyridinyl)prop-2-enoyl]amino]hexyl]-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[[6-[1-(1H-imidazo[4,5-b]pyridin-6-yl)ethenyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(5-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[6-[[(E)-3-(4-amino-3-pyridinyl)prop-2-enoyl]amino]hexyl]-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[[6-[1-(1H-imidazo[4,5-b]pyridin-6-yl)ethenyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(5-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is C=C(c1cnc2nc[nH]c2c1)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.CCN(CCCCCCNC(=O)/C=C/c1cnccc1N)C(=O)c1ccc(CN2CCN(C)CC2)cc1.CN1CCN(Cc2cccc(C(=O)N3CCC4(CC3)CC4CNC(=O)c3cc4cnccc4[nH]3)c2)CC1.Cc1ccc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)nc1.

What is the InChIKey of N-[6-[[(E)-3-(4-amino-3-pyridinyl)prop-2-enoyl]amino]hexyl]-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[[6-[1-(1H-imidazo[4,5-b]pyridin-6-yl)ethenyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(5-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The InChIKey is SJRCXJGDABNPCJ-QLYCOYKZSA-N. The full InChI is InChI=1S/C29H36N6O2.C29H42N6O2.C24H24N6O2.C23H24N4O3/c1-33-11-13-34(14-12-33)20-21-3-2-4-22(15-21)28(37)35-9-6-29(7-10-35)17-24(29)19-31-27(36)26-16-23-18-30-8-5-25(23)32-26;1-3-35(29(37)25-10-8-24(9-11-25)23-34-20-18-33(2)19-21-34)17-7-5-4-6-15-32-28(36)13-12-26-22-31-16-14-27(26)30;1-15(17-8-19-22(26-11-17)29-14-28-19)30-6-3-24(4-7-30)10-18(24)12-27-23(31)20-9-16-2-5-25-13-21(16)32-20;1-15-2-3-18(25-12-15)22(29)27-8-5-23(6-9-27)11-17(23)13-26-21(28)19-10-16-4-7-24-14-20(16)30-19/h2-5,8,15-16,18,24,32H,6-7,9-14,17,19-20H2,1H3,(H,31,36);8-14,16,22H,3-7,15,17-21,23H2,1-2H3,(H2,30,31)(H,32,36);2,5,8-9,11,13-14,18H,1,3-4,6-7,10,12H2,(H,27,31)(H,26,28,29);2-4,7,10,12,14,17H,5-6,8-9,11,13H2,1H3,(H,26,28)/b;13-12+;;.

What are the key properties of N-[6-[[(E)-3-(4-amino-3-pyridinyl)prop-2-enoyl]amino]hexyl]-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[[6-[1-(1H-imidazo[4,5-b]pyridin-6-yl)ethenyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(5-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

N-[6-[[(E)-3-(4-amino-3-pyridinyl)prop-2-enoyl]amino]hexyl]-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[[6-[1-(1H-imidazo[4,5-b]pyridin-6-yl)ethenyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(5-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 1840.31 g/mol, XLogP of 13.05, 28 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[(E)-3-(4-amino-3-pyridinyl)prop-2-enoyl]amino]hexyl]-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[[6-[1-(1H-imidazo[4,5-b]pyridin-6-yl)ethenyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[6-(5-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 160854333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).