1-[2-[4-(5-acetamido-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide

C194H239FN32O27 — CID 158522841

IUPAC1-[2-[4-(5-acetamido-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)nc1.CC(C)c1ccc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.Cc1ccc(C2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.Cc1ccc(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)c(F)c1.Cc1ccc(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.O=C(Nc1ccc(O)cc1)C1CCN(CC(=O)N2CCCC2c2ccccc2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C26H34N4O3.C25H30N4O5.C25H31N3O3.C24H29FN4O3.C24H30N6O4.C24H30N4O3.C23H28N4O3.C23H27N3O3/c1-19(2)20-3-7-23(8-4-20)29-13-15-30(16-14-29)25(32)18-28-12-11-21(17-28)26(33)27-22-5-9-24(31)10-6-22;30-21-4-2-20(3-5-21)26-25(32)19-7-8-28(15-19)16-24(31)29-11-9-27(10-12-29)14-18-1-6-22-23(13-18)34-17-33-22;1-18-2-4-19(5-3-18)20-11-14-28(15-12-20)24(30)17-27-13-10-21(16-27)25(31)26-22-6-8-23(29)9-7-22;1-17-2-7-22(21(25)14-17)28-10-12-29(13-11-28)23(31)16-27-9-8-18(15-27)24(32)26-19-3-5-20(30)6-4-19;1-17(31)26-20-4-7-22(25-14-20)29-10-12-30(13-11-29)23(33)16-28-9-8-18(15-28)24(34)27-19-2-5-21(32)6-3-19;1-18-2-6-21(7-3-18)27-12-14-28(15-13-27)23(30)17-26-11-10-19(16-26)24(31)25-20-4-8-22(29)9-5-20;28-21-8-6-19(7-9-21)24-23(30)18-10-11-25(16-18)17-22(29)27-14-12-26(13-15-27)20-4-2-1-3-5-20;27-20-10-8-19(9-11-20)24-23(29)18-12-14-25(15-18)16-22(28)26-13-4-7-21(26)17-5-2-1-3-6-17/h3-10,19,21,31H,11-18H2,1-2H3,(H,27,33);1-6,13,19,30H,7-12,14-17H2,(H,26,32);2-9,20-21,29H,10-17H2,1H3,(H,26,31);2-7,14,18,30H,8-13,15-16H2,1H3,(H,26,32);2-7,14,18,32H,8-13,15-16H2,1H3,(H,26,31)(H,27,34);2-9,19,29H,10-17H2,1H3,(H,25,31);1-9,18,28H,10-17H2,(H,24,30);1-3,5-6,8-11,18,21,27H,4,7,12-16H2,(H,24,29)/t21-;19-;;;;;18-;/m11....1./s1
InChIKeyHMKSTYBIBHDNHE-JPKLJPBJSA-N
MW3470.24 g/mol
LogP19.35
Rot. Bonds43

About 1-[2-[4-(5-acetamido-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide

1-[2-[4-(5-acetamido-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 158522841) has the molecular formula C194H239FN32O27 and a molecular weight of 3470.24 g/mol. Its IUPAC name is 1-[2-[4-(5-acetamido-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(5-acetamido-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
PubChem CID158522841
Molecular FormulaC194H239FN32O27
Molecular Weight3470.24 g/mol
Exact Mass3467.83
IUPAC Name1-[2-[4-(5-acetamido-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)nc1.CC(C)c1ccc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.Cc1ccc(C2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.Cc1ccc(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)c(F)c1.Cc1ccc(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.O=C(Nc1ccc(O)cc1)C1CCN(CC(=O)N2CCCC2c2ccccc2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C26H34N4O3.C25H30N4O5.C25H31N3O3.C24H29FN4O3.C24H30N6O4.C24H30N4O3.C23H28N4O3.C23H27N3O3/c1-19(2)20-3-7-23(8-4-20)29-13-15-30(16-14-29)25(32)18-28-12-11-21(17-28)26(33)27-22-5-9-24(31)10-6-22;30-21-4-2-20(3-5-21)26-25(32)19-7-8-28(15-19)16-24(31)29-11-9-27(10-12-29)14-18-1-6-22-23(13-18)34-17-33-22;1-18-2-4-19(5-3-18)20-11-14-28(15-12-20)24(30)17-27-13-10-21(16-27)25(31)26-22-6-8-23(29)9-7-22;1-17-2-7-22(21(25)14-17)28-10-12-29(13-11-28)23(31)16-27-9-8-18(15-27)24(32)26-19-3-5-20(30)6-4-19;1-17(31)26-20-4-7-22(25-14-20)29-10-12-30(13-11-29)23(33)16-28-9-8-18(15-28)24(34)27-19-2-5-21(32)6-3-19;1-18-2-6-21(7-3-18)27-12-14-28(15-13-27)23(30)17-26-11-10-19(16-26)24(31)25-20-4-8-22(29)9-5-20;28-21-8-6-19(7-9-21)24-23(30)18-10-11-25(16-18)17-22(29)27-14-12-26(13-15-27)20-4-2-1-3-5-20;27-20-10-8-19(9-11-20)24-23(29)18-12-14-25(15-18)16-22(28)26-13-4-7-21(26)17-5-2-1-3-6-17/h3-10,19,21,31H,11-18H2,1-2H3,(H,27,33);1-6,13,19,30H,7-12,14-17H2,(H,26,32);2-9,20-21,29H,10-17H2,1H3,(H,26,31);2-7,14,18,30H,8-13,15-16H2,1H3,(H,26,32);2-7,14,18,32H,8-13,15-16H2,1H3,(H,26,31)(H,27,34);2-9,19,29H,10-17H2,1H3,(H,25,31);1-9,18,28H,10-17H2,(H,24,30);1-3,5-6,8-11,18,21,27H,4,7,12-16H2,(H,24,29)/t21-;19-;;;;;18-;/m11....1./s1
InChIKeyHMKSTYBIBHDNHE-JPKLJPBJSA-N
XLogP19.35
TPSA662.93 Ų
H-Bond Donors17
H-Bond Acceptors42
Rotatable Bonds43
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003470.24
LogP ≤ 519.35
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 1-[2-[4-(5-acetamido-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide
CID 161313890
5-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide
CID 160863124
1-[3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-2-(2,3-difluorophenyl)ethanone;N-[5-[(E)-3-[3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide;2-(2,3-difluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone;N-[4-[2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetamide;N-[5-[(E)-3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide
CID 160978032
(5Z)-5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione
CID 161038265
4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide
CID 161236513
1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-(4-tert-butyl-1,4-diazepan-1-yl)ethanone;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butylpiperazine;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine-4-carboxamide;1-tert-butylpiperidin-3-ol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-4-ylpiperazine;1-tert-butylpyrrolidin-3-ol;N-(1-tert-butylpyrrolidin-3-yl)acetamide;(1-tert-butylpyrrolidin-2-yl)methanol;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;N,2-dimethylpropan-2-amine;ethane;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine
CID 161421103
1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-(4-tert-butyl-1,4-diazepan-1-yl)ethanone;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butylpiperazine;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine-4-carboxamide;1-tert-butylpiperidin-3-ol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-4-ylpiperazine;1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidin-3-ol;N-(1-tert-butylpyrrolidin-3-yl)acetamide;(1-tert-butylpyrrolidin-2-yl)methanol;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N-methylpropan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine
CID 167591520

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(5-acetamido-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-[4-(5-acetamido-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide (CID 158522841) is 1-[2-[4-(5-acetamido-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-[4-(5-acetamido-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-[4-(5-acetamido-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide is CC(=O)Nc1ccc(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)nc1.CC(C)c1ccc(N2CCN(C(=O)CN3CC[C@@H](C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.Cc1ccc(C2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.Cc1ccc(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)c(F)c1.Cc1ccc(N2CCN(C(=O)CN3CCC(C(=O)Nc4ccc(O)cc4)C3)CC2)cc1.O=C(Nc1ccc(O)cc1)C1CCN(CC(=O)N2CCCC2c2ccccc2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1.O=C(Nc1ccc(O)cc1)[C@@H]1CCN(CC(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 1-[2-[4-(5-acetamido-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is HMKSTYBIBHDNHE-JPKLJPBJSA-N. The full InChI is InChI=1S/C26H34N4O3.C25H30N4O5.C25H31N3O3.C24H29FN4O3.C24H30N6O4.C24H30N4O3.C23H28N4O3.C23H27N3O3/c1-19(2)20-3-7-23(8-4-20)29-13-15-30(16-14-29)25(32)18-28-12-11-21(17-28)26(33)27-22-5-9-24(31)10-6-22;30-21-4-2-20(3-5-21)26-25(32)19-7-8-28(15-19)16-24(31)29-11-9-27(10-12-29)14-18-1-6-22-23(13-18)34-17-33-22;1-18-2-4-19(5-3-18)20-11-14-28(15-12-20)24(30)17-27-13-10-21(16-27)25(31)26-22-6-8-23(29)9-7-22;1-17-2-7-22(21(25)14-17)28-10-12-29(13-11-28)23(31)16-27-9-8-18(15-27)24(32)26-19-3-5-20(30)6-4-19;1-17(31)26-20-4-7-22(25-14-20)29-10-12-30(13-11-29)23(33)16-28-9-8-18(15-28)24(34)27-19-2-5-21(32)6-3-19;1-18-2-6-21(7-3-18)27-12-14-28(15-13-27)23(30)17-26-11-10-19(16-26)24(31)25-20-4-8-22(29)9-5-20;28-21-8-6-19(7-9-21)24-23(30)18-10-11-25(16-18)17-22(29)27-14-12-26(13-15-27)20-4-2-1-3-5-20;27-20-10-8-19(9-11-20)24-23(29)18-12-14-25(15-18)16-22(28)26-13-4-7-21(26)17-5-2-1-3-6-17/h3-10,19,21,31H,11-18H2,1-2H3,(H,27,33);1-6,13,19,30H,7-12,14-17H2,(H,26,32);2-9,20-21,29H,10-17H2,1H3,(H,26,31);2-7,14,18,30H,8-13,15-16H2,1H3,(H,26,32);2-7,14,18,32H,8-13,15-16H2,1H3,(H,26,31)(H,27,34);2-9,19,29H,10-17H2,1H3,(H,25,31);1-9,18,28H,10-17H2,(H,24,30);1-3,5-6,8-11,18,21,27H,4,7,12-16H2,(H,24,29)/t21-;19-;;;;;18-;/m11....1./s1.
What are the key properties of 1-[2-[4-(5-acetamido-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide?
1-[2-[4-(5-acetamido-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 3470.24 g/mol, XLogP of 19.35, 43 rotatable bonds, 17 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(5-acetamido-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;(3R)-1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;1-[2-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide;N-(4-hydroxyphenyl)-1-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxamide;(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 158522841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).