3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 6-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-4-methylphenyl]spiro[2H-indole-3,4'-oxane]-1-carboxylate;bis(N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide);3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-oxane]-6-yl]benzoic acid;methane

C161H218N20O21 — CID 163420845

About 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 6-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-4-methylphenyl]spiro[2H-indole-3,4'-oxane]-1-carboxylate;bis(N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide);3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-oxane]-6-yl]benzoic acid;methane

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 6-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-4-methylphenyl]spiro[2H-indole-3,4'-oxane]-1-carboxylate;bis(N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide);3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-oxane]-6-yl]benzoic acid;methane (PubChem CID 163420845) has the molecular formula C161H218N20O21 and a molecular weight of 2769.63 g/mol. Its IUPAC name is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 6-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-4-methylphenyl]spiro[2H-indole-3,4'-oxane]-1-carboxylate;bis(N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide);3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-oxane]-6-yl]benzoic acid;methane.

Molecular Properties

• Compound Name: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 6-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-4-methylphenyl]spiro[2H-indole-3,4'-oxane]-1-carboxylate;bis(N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide);3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-oxane]-6-yl]benzoic acid;methane
• PubChem CID: 163420845
• Molecular Formula: C161H218N20O21
• Molecular Weight: 2769.63 g/mol
• Exact Mass: 2767.66
• IUPAC Name: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 6-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-4-methylphenyl]spiro[2H-indole-3,4'-oxane]-1-carboxylate;bis(N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide);3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-oxane]-6-yl]benzoic acid;methane
• SMILES: C.CCN(c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCN(C(=O)OC(C)(C)C)CC1.CCN(c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC32CCOCC2)cc(C(=O)O)c1C)C1CCN(C(=O)OC(C)(C)C)CC1.CCN(c1cc(-c2ccc3c(c2)NCC32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCNCC1.CCN(c1cc(-c2ccc3c(c2)NCC32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCNCC1.Cc1cc(C)c(CN)c(=O)[nH]1
• InChI: InChI=1S/C45H61N5O7.C37H51N3O7.2C35H45N5O3.C8H12N2O.CH4/c1-11-49(33-14-18-48(19-15-33)41(53)56-43(5,6)7)37-25-32(23-34(30(37)4)39(51)46-26-35-28(2)22-29(3)47-40(35)52)31-12-13-36-38(24-31)50(42(54)57-44(8,9)10)27-45(36)16-20-55-21-17-45;1-9-39(27-12-16-38(17-13-27)33(43)46-35(3,4)5)30-22-26(20-28(24(30)2)32(41)42)25-10-11-29-31(21-25)40(34(44)47-36(6,7)8)23-37(29)14-18-45-19-15-37;2*1-5-40(27-8-12-36-13-9-27)32-19-26(25-6-7-30-31(18-25)38-21-35(30)10-14-43-15-11-35)17-28(24(32)4)33(41)37-20-29-22(2)16-23(3)39-34(29)42;1-5-3-6(2)10-8(11)7(5)4-9;/h12-13,22-25,33H,11,14-21,26-27H2,1-10H3,(H,46,51)(H,47,52);10-11,20-22,27H,9,12-19,23H2,1-8H3,(H,41,42);2*6-7,16-19,27,36,38H,5,8-15,20-21H2,1-4H3,(H,37,41)(H,39,42);3H,4,9H2,1-2H3,(H,10,11);1H4
• InChIKey: AIHNEDOOCYJMRY-UHFFFAOYSA-N
• XLogP: 26.30
• TPSA: 498.22 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2769.63
LogP ≤ 5	26.30
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	29

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 6-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-4-methylphenyl]spiro[2H-indole-3,4'-oxane]-1-carboxylate;bis(N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide);3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-oxane]-6-yl]benzoic acid;methane?

The IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 6-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-4-methylphenyl]spiro[2H-indole-3,4'-oxane]-1-carboxylate;bis(N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide);3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-oxane]-6-yl]benzoic acid;methane (CID 163420845) is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 6-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-4-methylphenyl]spiro[2H-indole-3,4'-oxane]-1-carboxylate;bis(N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide);3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-oxane]-6-yl]benzoic acid;methane.

What is the SMILES notation for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 6-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-4-methylphenyl]spiro[2H-indole-3,4'-oxane]-1-carboxylate;bis(N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide);3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-oxane]-6-yl]benzoic acid;methane?

The canonical SMILES for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 6-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-4-methylphenyl]spiro[2H-indole-3,4'-oxane]-1-carboxylate;bis(N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide);3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-oxane]-6-yl]benzoic acid;methane is C.CCN(c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCN(C(=O)OC(C)(C)C)CC1.CCN(c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC32CCOCC2)cc(C(=O)O)c1C)C1CCN(C(=O)OC(C)(C)C)CC1.CCN(c1cc(-c2ccc3c(c2)NCC32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCNCC1.CCN(c1cc(-c2ccc3c(c2)NCC32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCNCC1.Cc1cc(C)c(CN)c(=O)[nH]1.

What is the InChIKey of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 6-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-4-methylphenyl]spiro[2H-indole-3,4'-oxane]-1-carboxylate;bis(N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide);3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-oxane]-6-yl]benzoic acid;methane?

The InChIKey is AIHNEDOOCYJMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H61N5O7.C37H51N3O7.2C35H45N5O3.C8H12N2O.CH4/c1-11-49(33-14-18-48(19-15-33)41(53)56-43(5,6)7)37-25-32(23-34(30(37)4)39(51)46-26-35-28(2)22-29(3)47-40(35)52)31-12-13-36-38(24-31)50(42(54)57-44(8,9)10)27-45(36)16-20-55-21-17-45;1-9-39(27-12-16-38(17-13-27)33(43)46-35(3,4)5)30-22-26(20-28(24(30)2)32(41)42)25-10-11-29-31(21-25)40(34(44)47-36(6,7)8)23-37(29)14-18-45-19-15-37;2*1-5-40(27-8-12-36-13-9-27)32-19-26(25-6-7-30-31(18-25)38-21-35(30)10-14-43-15-11-35)17-28(24(32)4)33(41)37-20-29-22(2)16-23(3)39-34(29)42;1-5-3-6(2)10-8(11)7(5)4-9;/h12-13,22-25,33H,11,14-21,26-27H2,1-10H3,(H,46,51)(H,47,52);10-11,20-22,27H,9,12-19,23H2,1-8H3,(H,41,42);2*6-7,16-19,27,36,38H,5,8-15,20-21H2,1-4H3,(H,37,41)(H,39,42);3H,4,9H2,1-2H3,(H,10,11);1H4.

What are the key properties of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 6-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-4-methylphenyl]spiro[2H-indole-3,4'-oxane]-1-carboxylate;bis(N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide);3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-oxane]-6-yl]benzoic acid;methane?

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 6-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-4-methylphenyl]spiro[2H-indole-3,4'-oxane]-1-carboxylate;bis(N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide);3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-oxane]-6-yl]benzoic acid;methane has a molecular weight of 2769.63 g/mol, XLogP of 26.30, 27 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 6-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-4-methylphenyl]spiro[2H-indole-3,4'-oxane]-1-carboxylate;bis(N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(piperidin-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide);3-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-oxane]-6-yl]benzoic acid;methane is sourced from PubChem (CID 163420845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).