N-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide

C201H204FN27O18 — CID 160906248

IUPACN-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide
SMILESCN(C(=O)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1)C1CC1.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4ccc(-c5ccncc5)cn4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4cccc(-c5ccn[nH]5)c4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4cccc(-c5ccncc5)c4)c3)cc2C1.C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NC2CCCC2)c1.C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NCC2CCC(C)(F)CC2)c1.C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NCc2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C31H30N4O3.C31H32N4O2.C30H29N5O3.C29H32FN3O2.C29H29N5O3.C26H27N3O2.C25H25N3O3/c1-35-15-12-21-8-9-28(18-27(21)19-35)33-30(37)26-7-3-5-24(17-26)29(20-36)34-31(38)25-6-2-4-23(16-25)22-10-13-32-14-11-22;1-22(34-31(37)27-13-11-25(12-14-27)26-15-17-32-18-16-26)28-5-4-6-29(19-28)30(36)33-20-23-7-9-24(10-8-23)21-35(2)3;1-35-14-11-20-5-7-26(16-25(20)18-35)33-29(37)23-4-2-3-22(15-23)28(19-36)34-30(38)27-8-6-24(17-32-27)21-9-12-31-13-10-21;1-20(33-28(35)24-8-6-22(7-9-24)23-12-16-31-17-13-23)25-4-3-5-26(18-25)27(34)32-19-21-10-14-29(2,30)15-11-21;1-34-13-11-19-8-9-25(16-24(19)17-34)31-28(36)22-6-3-5-21(15-22)27(18-35)32-29(37)23-7-2-4-20(14-23)26-10-12-30-33-26;1-18(22-5-4-6-23(17-22)26(31)29-24-7-2-3-8-24)28-25(30)21-11-9-19(10-12-21)20-13-15-27-16-14-20;1-28(22-9-10-22)25(31)21-4-2-3-20(15-21)23(16-29)27-24(30)19-7-5-17(6-8-19)18-11-13-26-14-12-18/h2-11,13-14,16-18,29,36H,12,15,19-20H2,1H3,(H,33,37)(H,34,38);4-19,22H,20-21H2,1-3H3,(H,33,36)(H,34,37);2-10,12-13,15-17,28,36H,11,14,18-19H2,1H3,(H,33,37)(H,34,38);3-9,12-13,16-18,20-21H,10-11,14-15,19H2,1-2H3,(H,32,34)(H,33,35);2-10,12,14-16,27,35H,11,13,17-18H2,1H3,(H,30,33)(H,31,36)(H,32,37);4-6,9-18,24H,2-3,7-8H2,1H3,(H,28,30)(H,29,31);2-8,11-15,22-23,29H,9-10,16H2,1H3,(H,27,30)/t29-;22-;28-;20-,21?,29?;27-;18-;23-/m1111111/s1
InChIKeySQEGNTBNWWQXES-QTIBMJDFSA-N
MW3305.01 g/mol
LogP31.56
Rot. Bonds50

About N-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide

N-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide (PubChem CID 160906248) has the molecular formula C201H204FN27O18 and a molecular weight of 3305.01 g/mol. Its IUPAC name is N-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide
PubChem CID160906248
Molecular FormulaC201H204FN27O18
Molecular Weight3305.01 g/mol
Exact Mass3302.59
IUPAC NameN-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide
SMILESCN(C(=O)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1)C1CC1.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4ccc(-c5ccncc5)cn4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4cccc(-c5ccn[nH]5)c4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4cccc(-c5ccncc5)c4)c3)cc2C1.C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NC2CCCC2)c1.C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NCC2CCC(C)(F)CC2)c1.C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NCc2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C31H30N4O3.C31H32N4O2.C30H29N5O3.C29H32FN3O2.C29H29N5O3.C26H27N3O2.C25H25N3O3/c1-35-15-12-21-8-9-28(18-27(21)19-35)33-30(37)26-7-3-5-24(17-26)29(20-36)34-31(38)25-6-2-4-23(16-25)22-10-13-32-14-11-22;1-22(34-31(37)27-13-11-25(12-14-27)26-15-17-32-18-16-26)28-5-4-6-29(19-28)30(36)33-20-23-7-9-24(10-8-23)21-35(2)3;1-35-14-11-20-5-7-26(16-25(20)18-35)33-29(37)23-4-2-3-22(15-23)28(19-36)34-30(38)27-8-6-24(17-32-27)21-9-12-31-13-10-21;1-20(33-28(35)24-8-6-22(7-9-24)23-12-16-31-17-13-23)25-4-3-5-26(18-25)27(34)32-19-21-10-14-29(2,30)15-11-21;1-34-13-11-19-8-9-25(16-24(19)17-34)31-28(36)22-6-3-5-21(15-22)27(18-35)32-29(37)23-7-2-4-20(14-23)26-10-12-30-33-26;1-18(22-5-4-6-23(17-22)26(31)29-24-7-2-3-8-24)28-25(30)21-11-9-19(10-12-21)20-13-15-27-16-14-20;1-28(22-9-10-22)25(31)21-4-2-3-20(15-21)23(16-29)27-24(30)19-7-5-17(6-8-19)18-11-13-26-14-12-18/h2-11,13-14,16-18,29,36H,12,15,19-20H2,1H3,(H,33,37)(H,34,38);4-19,22H,20-21H2,1-3H3,(H,33,36)(H,34,37);2-10,12-13,15-17,28,36H,11,14,18-19H2,1H3,(H,33,37)(H,34,38);3-9,12-13,16-18,20-21H,10-11,14-15,19H2,1-2H3,(H,32,34)(H,33,35);2-10,12,14-16,27,35H,11,13,17-18H2,1H3,(H,30,33)(H,31,36)(H,32,37);4-6,9-18,24H,2-3,7-8H2,1H3,(H,28,30)(H,29,31);2-8,11-15,22-23,29H,9-10,16H2,1H3,(H,27,30)/t29-;22-;28-;20-,21?,29?;27-;18-;23-/m1111111/s1
InChIKeySQEGNTBNWWQXES-QTIBMJDFSA-N
XLogP31.56
TPSA611.40 Ų
H-Bond Donors18
H-Bond Acceptors30
Rotatable Bonds50
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003305.01
LogP ≤ 531.56
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1030

Analyze N-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide with MolForge

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Related Compounds

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-morpholin-4-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide
CID 157284286
N-cyclopentyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-phenylbenzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 157740744
CID 157797520
CID 157797520
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(2-methylpyrazol-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-4-ylbenzamide
CID 157819075
4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzamide;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzamide;N-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetamide;3-[4-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]propan-1-ol;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1H-pyrazol-5-yl)isoquinolin-8-amine
CID 158195845
N-cyclohexyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-5-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-pyridin-4-ylbenzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane
CID 158735447
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
CID 158818446
N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide
CID 159204686
N-cyclopentyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-phenylbenzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 159293832
N-cyclopentyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-phenylbenzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 159354013
N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane
CID 159839792
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(2-methylpyrazol-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-4-ylbenzamide
CID 160175584

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide (CID 160906248) is N-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide is CN(C(=O)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1)C1CC1.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4ccc(-c5ccncc5)cn4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4cccc(-c5ccn[nH]5)c4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc([C@@H](CO)NC(=O)c4cccc(-c5ccncc5)c4)c3)cc2C1.C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NC2CCCC2)c1.C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NCC2CCC(C)(F)CC2)c1.C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NCc2ccc(CN(C)C)cc2)c1.
What is the InChIKey of N-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide?
The InChIKey is SQEGNTBNWWQXES-QTIBMJDFSA-N. The full InChI is InChI=1S/C31H30N4O3.C31H32N4O2.C30H29N5O3.C29H32FN3O2.C29H29N5O3.C26H27N3O2.C25H25N3O3/c1-35-15-12-21-8-9-28(18-27(21)19-35)33-30(37)26-7-3-5-24(17-26)29(20-36)34-31(38)25-6-2-4-23(16-25)22-10-13-32-14-11-22;1-22(34-31(37)27-13-11-25(12-14-27)26-15-17-32-18-16-26)28-5-4-6-29(19-28)30(36)33-20-23-7-9-24(10-8-23)21-35(2)3;1-35-14-11-20-5-7-26(16-25(20)18-35)33-29(37)23-4-2-3-22(15-23)28(19-36)34-30(38)27-8-6-24(17-32-27)21-9-12-31-13-10-21;1-20(33-28(35)24-8-6-22(7-9-24)23-12-16-31-17-13-23)25-4-3-5-26(18-25)27(34)32-19-21-10-14-29(2,30)15-11-21;1-34-13-11-19-8-9-25(16-24(19)17-34)31-28(36)22-6-3-5-21(15-22)27(18-35)32-29(37)23-7-2-4-20(14-23)26-10-12-30-33-26;1-18(22-5-4-6-23(17-22)26(31)29-24-7-2-3-8-24)28-25(30)21-11-9-19(10-12-21)20-13-15-27-16-14-20;1-28(22-9-10-22)25(31)21-4-2-3-20(15-21)23(16-29)27-24(30)19-7-5-17(6-8-19)18-11-13-26-14-12-18/h2-11,13-14,16-18,29,36H,12,15,19-20H2,1H3,(H,33,37)(H,34,38);4-19,22H,20-21H2,1-3H3,(H,33,36)(H,34,37);2-10,12-13,15-17,28,36H,11,14,18-19H2,1H3,(H,33,37)(H,34,38);3-9,12-13,16-18,20-21H,10-11,14-15,19H2,1-2H3,(H,32,34)(H,33,35);2-10,12,14-16,27,35H,11,13,17-18H2,1H3,(H,30,33)(H,31,36)(H,32,37);4-6,9-18,24H,2-3,7-8H2,1H3,(H,28,30)(H,29,31);2-8,11-15,22-23,29H,9-10,16H2,1H3,(H,27,30)/t29-;22-;28-;20-,21?,29?;27-;18-;23-/m1111111/s1.
What are the key properties of N-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide?
N-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide has a molecular weight of 3305.01 g/mol, XLogP of 31.56, 50 rotatable bonds, 18 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-methylbenzamide;N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-5-pyridin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 160906248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).