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

C115H147N15O20 — CID 163863335

IUPAC3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid
SMILESCCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCN(C(=O)OC(C)(C)C)CC2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCN(C(=O)OC(C)(C)C)CC2)cc(C(=O)O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCNCC2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1.COc1cc(C)[nH]c(=O)c1CN
InChIInChI=1S/C40H51N5O7.C35H43N5O5.C32H41N3O6.C8H12N2O2/c1-8-45(28-11-17-51-18-12-28)33-22-27(20-29(25(33)3)35(46)41-23-30-34(50-7)19-24(2)42-36(30)47)26-9-10-31-32(21-26)43-37(48)40(31)13-15-44(16-14-40)38(49)52-39(4,5)6;1-5-40(25-8-14-45-15-9-25)30-19-24(23-6-7-28-29(18-23)39-34(43)35(28)10-12-36-13-11-35)17-26(22(30)3)32(41)37-20-27-31(44-4)16-21(2)38-33(27)42;1-6-35(23-9-15-40-16-10-23)27-19-22(17-24(20(27)2)28(36)37)21-7-8-25-26(18-21)33-29(38)32(25)11-13-34(14-12-32)30(39)41-31(3,4)5;1-5-3-7(12-2)6(4-9)8(11)10-5/h9-10,19-22,28H,8,11-18,23H2,1-7H3,(H,41,46)(H,42,47)(H,43,48);6-7,16-19,25,36H,5,8-15,20H2,1-4H3,(H,37,41)(H,38,42)(H,39,43);7-8,17-19,23H,6,9-16H2,1-5H3,(H,33,38)(H,36,37);3H,4,9H2,1-2H3,(H,10,11)
InChIKeyPEMDGYLMODDAOT-UHFFFAOYSA-N
MW2059.53 g/mol
LogP15.74
Rot. Bonds23

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

3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid (PubChem CID 163863335) has the molecular formula C115H147N15O20 and a molecular weight of 2059.53 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid.

Molecular Properties

Compound Name3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid
PubChem CID163863335
Molecular FormulaC115H147N15O20
Molecular Weight2059.53 g/mol
Exact Mass2058.09
IUPAC Name3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid
SMILESCCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCN(C(=O)OC(C)(C)C)CC2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCN(C(=O)OC(C)(C)C)CC2)cc(C(=O)O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCNCC2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1.COc1cc(C)[nH]c(=O)c1CN
InChIInChI=1S/C40H51N5O7.C35H43N5O5.C32H41N3O6.C8H12N2O2/c1-8-45(28-11-17-51-18-12-28)33-22-27(20-29(25(33)3)35(46)41-23-30-34(50-7)19-24(2)42-36(30)47)26-9-10-31-32(21-26)43-37(48)40(31)13-15-44(16-14-40)38(49)52-39(4,5)6;1-5-40(25-8-14-45-15-9-25)30-19-24(23-6-7-28-29(18-23)39-34(43)35(28)10-12-36-13-11-35)17-26(22(30)3)32(41)37-20-27-31(44-4)16-21(2)38-33(27)42;1-6-35(23-9-15-40-16-10-23)27-19-22(17-24(20(27)2)28(36)37)21-7-8-25-26(18-21)33-29(38)32(25)11-13-34(14-12-32)30(39)41-31(3,4)5;1-5-3-7(12-2)6(4-9)8(11)10-5/h9-10,19-22,28H,8,11-18,23H2,1-7H3,(H,41,46)(H,42,47)(H,43,48);6-7,16-19,25,36H,5,8-15,20H2,1-4H3,(H,37,41)(H,38,42)(H,39,43);7-8,17-19,23H,6,9-16H2,1-5H3,(H,33,38)(H,36,37);3H,4,9H2,1-2H3,(H,10,11)
InChIKeyPEMDGYLMODDAOT-UHFFFAOYSA-N
XLogP15.74
TPSA443.61 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms150
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002059.53
LogP ≤ 515.74
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Analyze 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid?
The IUPAC name of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid (CID 163863335) is 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid.
What is the SMILES notation for 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid?
The canonical SMILES for 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid is CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCN(C(=O)OC(C)(C)C)CC2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCN(C(=O)OC(C)(C)C)CC2)cc(C(=O)O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCNCC2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1.COc1cc(C)[nH]c(=O)c1CN.
What is the InChIKey of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid?
The InChIKey is PEMDGYLMODDAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H51N5O7.C35H43N5O5.C32H41N3O6.C8H12N2O2/c1-8-45(28-11-17-51-18-12-28)33-22-27(20-29(25(33)3)35(46)41-23-30-34(50-7)19-24(2)42-36(30)47)26-9-10-31-32(21-26)43-37(48)40(31)13-15-44(16-14-40)38(49)52-39(4,5)6;1-5-40(25-8-14-45-15-9-25)30-19-24(23-6-7-28-29(18-23)39-34(43)35(28)10-12-36-13-11-35)17-26(22(30)3)32(41)37-20-27-31(44-4)16-21(2)38-33(27)42;1-6-35(23-9-15-40-16-10-23)27-19-22(17-24(20(27)2)28(36)37)21-7-8-25-26(18-21)33-29(38)32(25)11-13-34(14-12-32)30(39)41-31(3,4)5;1-5-3-7(12-2)6(4-9)8(11)10-5/h9-10,19-22,28H,8,11-18,23H2,1-7H3,(H,41,46)(H,42,47)(H,43,48);6-7,16-19,25,36H,5,8-15,20H2,1-4H3,(H,37,41)(H,38,42)(H,39,43);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-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid?
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid has a molecular weight of 2059.53 g/mol, XLogP of 15.74, 23 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;tert-butyl 6-[3-[ethyl(oxan-4-yl)amino]-5-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;3-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)benzamide;3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl]benzoic acid is sourced from PubChem (CID 163863335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).