3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;tert-butyl 4-[N-ethyl-3-methoxycarbonyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide;3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzoic acid

C148H190N18O23 — CID 163757646

About 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;tert-butyl 4-[N-ethyl-3-methoxycarbonyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide;3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzoic acid

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;tert-butyl 4-[N-ethyl-3-methoxycarbonyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide;3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzoic acid (PubChem CID 163757646) has the molecular formula C148H190N18O23 and a molecular weight of 2589.25 g/mol. Its IUPAC name is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;tert-butyl 4-[N-ethyl-3-methoxycarbonyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide;3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzoic acid.

Molecular Properties

• Compound Name: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;tert-butyl 4-[N-ethyl-3-methoxycarbonyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide;3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzoic acid
• PubChem CID: 163757646
• Molecular Formula: C148H190N18O23
• Molecular Weight: 2589.25 g/mol
• Exact Mass: 2587.43
• IUPAC Name: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;tert-butyl 4-[N-ethyl-3-methoxycarbonyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide;3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzoic acid
• SMILES: CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCN(C(=O)OC(C)(C)C)CC1.CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCNCC1.CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCOCC2)cc(C(=O)O)c1C)C1CCN(C(=O)OC(C)(C)C)CC1.CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCOCC2)cc(C(=O)OC)c1C)C1CCN(C(=O)OC(C)(C)C)CC1.Cc1cc(C)c(CN)c(=O)[nH]1
• InChI: InChI=1S/C40H51N5O6.C35H43N5O4.C33H43N3O6.C32H41N3O6.C8H12N2O/c1-8-45(29-11-15-44(16-12-29)38(49)51-39(5,6)7)34-22-28(27-9-10-32-33(21-27)43-37(48)40(32)13-17-50-18-14-40)20-30(26(34)4)35(46)41-23-31-24(2)19-25(3)42-36(31)47;1-5-40(26-8-12-36-13-9-26)31-19-25(24-6-7-29-30(18-24)39-34(43)35(29)10-14-44-15-11-35)17-27(23(31)4)32(41)37-20-28-21(2)16-22(3)38-33(28)42;1-7-36(24-10-14-35(15-11-24)31(39)42-32(3,4)5)28-20-23(18-25(21(28)2)29(37)40-6)22-8-9-26-27(19-22)34-30(38)33(26)12-16-41-17-13-33;1-6-35(23-9-13-34(14-10-23)30(39)41-31(3,4)5)27-19-22(17-24(20(27)2)28(36)37)21-7-8-25-26(18-21)33-29(38)32(25)11-15-40-16-12-32;1-5-3-6(2)10-8(11)7(5)4-9/h9-10,19-22,29H,8,11-18,23H2,1-7H3,(H,41,46)(H,42,47)(H,43,48);6-7,16-19,26,36H,5,8-15,20H2,1-4H3,(H,37,41)(H,38,42)(H,39,43);8-9,18-20,24H,7,10-17H2,1-6H3,(H,34,38);7-8,17-19,23H,6,9-16H2,1-5H3,(H,33,38)(H,36,37);3H,4,9H2,1-2H3,(H,10,11)
• InChIKey: LVLRSCXBGHQBMY-UHFFFAOYSA-N
• XLogP: 22.31
• TPSA: 513.33 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2589.25
LogP ≤ 5	22.31
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;tert-butyl 4-[N-ethyl-3-methoxycarbonyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide;3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzoic acid?

The IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;tert-butyl 4-[N-ethyl-3-methoxycarbonyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide;3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzoic acid (CID 163757646) is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;tert-butyl 4-[N-ethyl-3-methoxycarbonyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide;3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzoic acid.

What is the SMILES notation for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;tert-butyl 4-[N-ethyl-3-methoxycarbonyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide;3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzoic acid?

The canonical SMILES for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;tert-butyl 4-[N-ethyl-3-methoxycarbonyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide;3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzoic acid is CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCN(C(=O)OC(C)(C)C)CC1.CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCNCC1.CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCOCC2)cc(C(=O)O)c1C)C1CCN(C(=O)OC(C)(C)C)CC1.CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCOCC2)cc(C(=O)OC)c1C)C1CCN(C(=O)OC(C)(C)C)CC1.Cc1cc(C)c(CN)c(=O)[nH]1.

What is the InChIKey of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;tert-butyl 4-[N-ethyl-3-methoxycarbonyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide;3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzoic acid?

The InChIKey is LVLRSCXBGHQBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H51N5O6.C35H43N5O4.C33H43N3O6.C32H41N3O6.C8H12N2O/c1-8-45(29-11-15-44(16-12-29)38(49)51-39(5,6)7)34-22-28(27-9-10-32-33(21-27)43-37(48)40(32)13-17-50-18-14-40)20-30(26(34)4)35(46)41-23-31-24(2)19-25(3)42-36(31)47;1-5-40(26-8-12-36-13-9-26)31-19-25(24-6-7-29-30(18-24)39-34(43)35(29)10-14-44-15-11-35)17-27(23(31)4)32(41)37-20-28-21(2)16-22(3)38-33(28)42;1-7-36(24-10-14-35(15-11-24)31(39)42-32(3,4)5)28-20-23(18-25(21(28)2)29(37)40-6)22-8-9-26-27(19-22)34-30(38)33(26)12-16-41-17-13-33;1-6-35(23-9-13-34(14-10-23)30(39)41-31(3,4)5)27-19-22(17-24(20(27)2)28(36)37)21-7-8-25-26(18-21)33-29(38)32(25)11-15-40-16-12-32;1-5-3-6(2)10-8(11)7(5)4-9/h9-10,19-22,29H,8,11-18,23H2,1-7H3,(H,41,46)(H,42,47)(H,43,48);6-7,16-19,26,36H,5,8-15,20H2,1-4H3,(H,37,41)(H,38,42)(H,39,43);8-9,18-20,24H,7,10-17H2,1-6H3,(H,34,38);7-8,17-19,23H,6,9-16H2,1-5H3,(H,33,38)(H,36,37);3H,4,9H2,1-2H3,(H,10,11).

What are the key properties of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;tert-butyl 4-[N-ethyl-3-methoxycarbonyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide;3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzoic acid?

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;tert-butyl 4-[N-ethyl-3-methoxycarbonyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide;3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzoic acid has a molecular weight of 2589.25 g/mol, XLogP of 22.31, 25 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;tert-butyl 4-[N-ethyl-3-methoxycarbonyl-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)anilino]piperidine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide;3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzoic acid is sourced from PubChem (CID 163757646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).