N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide

C198H198N24O21 — CID 161355894

IUPACN-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide
SMILESCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(OCC(=O)NC2CC2)c1.CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(OCC(=O)Nc2ccc3c(c2)CN(C)CC3)c1.CN(C)CCc1ccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1.CN(C)Cc1cccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.O=C(NC1CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NCC1CCCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NCc1ccccc1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C32H32N4O3.C31H32N4O3.C30H30N4O3.C28H31N3O3.C28H25N3O3.C25H25N3O3.C24H23N3O3/c1-22(34-32(38)26-8-6-23(7-9-26)25-12-15-33-16-13-25)27-4-3-5-30(19-27)39-21-31(37)35-29-11-10-24-14-17-36(2)20-28(24)18-29;1-35(2)19-16-22-6-12-28(13-7-22)33-31(38)27-5-3-4-26(20-27)29(21-36)34-30(37)25-10-8-23(9-11-25)24-14-17-32-18-15-24;1-34(2)19-21-5-3-8-27(17-21)32-30(37)26-7-4-6-25(18-26)28(20-35)33-29(36)24-11-9-22(10-12-24)23-13-15-31-16-14-23;2*32-19-26(31-28(34)23-11-9-21(10-12-23)22-13-15-29-16-14-22)24-7-4-8-25(17-24)27(33)30-18-20-5-2-1-3-6-20;1-17(21-3-2-4-23(15-21)31-16-24(29)28-22-9-10-22)27-25(30)20-7-5-18(6-8-20)19-11-13-26-14-12-19;28-15-22(19-2-1-3-20(14-19)24(30)26-21-8-9-21)27-23(29)18-6-4-16(5-7-18)17-10-12-25-13-11-17/h3-13,15-16,18-19,22H,14,17,20-21H2,1-2H3,(H,34,38)(H,35,37);3-15,17-18,20,29,36H,16,19,21H2,1-2H3,(H,33,38)(H,34,37);3-18,28,35H,19-20H2,1-2H3,(H,32,37)(H,33,36);4,7-17,20,26,32H,1-3,5-6,18-19H2,(H,30,33)(H,31,34);1-17,26,32H,18-19H2,(H,30,33)(H,31,34);2-8,11-15,17,22H,9-10,16H2,1H3,(H,27,30)(H,28,29);1-7,10-14,21-22,28H,8-9,15H2,(H,26,30)(H,27,29)/t;29-;28-;2*26-;;22-/m.1111.1/s1
InChIKeyVONOIXZKRBPHNN-HBWISPBGSA-N
MW3249.91 g/mol
LogP30.00
Rot. Bonds58

About N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide

N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide (PubChem CID 161355894) has the molecular formula C198H198N24O21 and a molecular weight of 3249.91 g/mol. Its IUPAC name is N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide
PubChem CID161355894
Molecular FormulaC198H198N24O21
Molecular Weight3249.91 g/mol
Exact Mass3247.52
IUPAC NameN-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide
SMILESCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(OCC(=O)NC2CC2)c1.CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(OCC(=O)Nc2ccc3c(c2)CN(C)CC3)c1.CN(C)CCc1ccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1.CN(C)Cc1cccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.O=C(NC1CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NCC1CCCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NCc1ccccc1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C32H32N4O3.C31H32N4O3.C30H30N4O3.C28H31N3O3.C28H25N3O3.C25H25N3O3.C24H23N3O3/c1-22(34-32(38)26-8-6-23(7-9-26)25-12-15-33-16-13-25)27-4-3-5-30(19-27)39-21-31(37)35-29-11-10-24-14-17-36(2)20-28(24)18-29;1-35(2)19-16-22-6-12-28(13-7-22)33-31(38)27-5-3-4-26(20-27)29(21-36)34-30(37)25-10-8-23(9-11-25)24-14-17-32-18-15-24;1-34(2)19-21-5-3-8-27(17-21)32-30(37)26-7-4-6-25(18-26)28(20-35)33-29(36)24-11-9-22(10-12-24)23-13-15-31-16-14-23;2*32-19-26(31-28(34)23-11-9-21(10-12-23)22-13-15-29-16-14-22)24-7-4-8-25(17-24)27(33)30-18-20-5-2-1-3-6-20;1-17(21-3-2-4-23(15-21)31-16-24(29)28-22-9-10-22)27-25(30)20-7-5-18(6-8-20)19-11-13-26-14-12-19;28-15-22(19-2-1-3-20(14-19)24(30)26-21-8-9-21)27-23(29)18-6-4-16(5-7-18)17-10-12-25-13-11-17/h3-13,15-16,18-19,22H,14,17,20-21H2,1-2H3,(H,34,38)(H,35,37);3-15,17-18,20,29,36H,16,19,21H2,1-2H3,(H,33,38)(H,34,37);3-18,28,35H,19-20H2,1-2H3,(H,32,37)(H,33,36);4,7-17,20,26,32H,1-3,5-6,18-19H2,(H,30,33)(H,31,34);1-17,26,32H,18-19H2,(H,30,33)(H,31,34);2-8,11-15,17,22H,9-10,16H2,1H3,(H,27,30)(H,28,29);1-7,10-14,21-22,28H,8-9,15H2,(H,26,30)(H,27,29)/t;29-;28-;2*26-;;22-/m.1111.1/s1
InChIKeyVONOIXZKRBPHNN-HBWISPBGSA-N
XLogP30.00
TPSA626.96 Ų
H-Bond Donors19
H-Bond Acceptors31
Rotatable Bonds58
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003249.91
LogP ≤ 530.00
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1031

Analyze N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide with MolForge

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Related Compounds

N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide
CID 134474996
(2S,5R)-5-[(3S,4R)-4-(3-carbamoylphenyl)-3-methylpiperidin-1-yl]-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;bis(5-[1-[(3R,6S)-6-cyclopropyl-6-[8-ethoxy-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid);3-[(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;(2S)-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-(4-pyridin-4-ylpiperidin-1-yl)oxane-2-carboxamide
CID 157508770
CID 157746401
CID 157746401
N-cyclopropyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(3-fluorophenyl)methyl]-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-(1-methoxyethenyl)piperidin-4-yl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate
CID 158915943
carbon dioxide;1-(cyclohexylamino)-3-isoquinolin-6-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;1-isoquinolin-6-yl-3-[(4-methylphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;(E)-1-isoquinolin-6-yl-4-[4-(1-phenylcyclopropanecarbonyl)phenyl]but-3-en-2-one;(E)-N-isoquinolin-6-yl-3-[4-(2-phenylprop-2-enoyl)phenyl]prop-2-enamide;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one
CID 159344068
6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzamide
CID 159535453
CID 159747935
CID 159747935
methyl (2S)-3-[8-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]quinolin-5-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[8-[5,6-dimethyl-3-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[8-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-5-yl]propanoate;methyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[8-(3-methoxynaphthalen-2-yl)quinolin-5-yl]propanoate;methyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)quinolin-5-yl]propanoate
CID 161212074
4-[3-[[[(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carbonyl]amino]methyl]-5-(trifluoromethyl)phenoxy]butanoic acid;5-[(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]-3-methylpiperidin-4-yl]-2-fluorobenzoic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[(4R)-4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;5-[(2S)-4-[(6R)-6-[[3-ethoxy-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid
CID 161583864
2-[[4-[[1-Hydroxy-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethyl]amino]benzoyl]-[[4-(quinoline-6-carbonyloxy)phenyl]methyl]amino]acetic acid;2-[[4-(isoquinoline-6-carbonyloxy)phenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[[4-(quinoline-7-carbonyloxy)phenyl]methyl]amino]acetic acid
CID 162190218
6-[6-[[4-[[cyclopropyl-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]methyl]benzoyl]amino]isoquinolin-2-ium-2-yl]-6-oxohexanethioic S-acid
CID 178269786
4-[6-[[4-[[cyclopropyl-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]methyl]benzoyl]amino]isoquinolin-2-ium-2-carbonyl]benzenecarbothioic S-acid
CID 178269787

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide (CID 161355894) is N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide is CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(OCC(=O)NC2CC2)c1.CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(OCC(=O)Nc2ccc3c(c2)CN(C)CC3)c1.CN(C)CCc1ccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1.CN(C)Cc1cccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.O=C(NC1CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NCC1CCCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NCc1ccccc1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.
What is the InChIKey of N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide?
The InChIKey is VONOIXZKRBPHNN-HBWISPBGSA-N. The full InChI is InChI=1S/C32H32N4O3.C31H32N4O3.C30H30N4O3.C28H31N3O3.C28H25N3O3.C25H25N3O3.C24H23N3O3/c1-22(34-32(38)26-8-6-23(7-9-26)25-12-15-33-16-13-25)27-4-3-5-30(19-27)39-21-31(37)35-29-11-10-24-14-17-36(2)20-28(24)18-29;1-35(2)19-16-22-6-12-28(13-7-22)33-31(38)27-5-3-4-26(20-27)29(21-36)34-30(37)25-10-8-23(9-11-25)24-14-17-32-18-15-24;1-34(2)19-21-5-3-8-27(17-21)32-30(37)26-7-4-6-25(18-26)28(20-35)33-29(36)24-11-9-22(10-12-24)23-13-15-31-16-14-23;2*32-19-26(31-28(34)23-11-9-21(10-12-23)22-13-15-29-16-14-22)24-7-4-8-25(17-24)27(33)30-18-20-5-2-1-3-6-20;1-17(21-3-2-4-23(15-21)31-16-24(29)28-22-9-10-22)27-25(30)20-7-5-18(6-8-20)19-11-13-26-14-12-19;28-15-22(19-2-1-3-20(14-19)24(30)26-21-8-9-21)27-23(29)18-6-4-16(5-7-18)17-10-12-25-13-11-17/h3-13,15-16,18-19,22H,14,17,20-21H2,1-2H3,(H,34,38)(H,35,37);3-15,17-18,20,29,36H,16,19,21H2,1-2H3,(H,33,38)(H,34,37);3-18,28,35H,19-20H2,1-2H3,(H,32,37)(H,33,36);4,7-17,20,26,32H,1-3,5-6,18-19H2,(H,30,33)(H,31,34);1-17,26,32H,18-19H2,(H,30,33)(H,31,34);2-8,11-15,17,22H,9-10,16H2,1H3,(H,27,30)(H,28,29);1-7,10-14,21-22,28H,8-9,15H2,(H,26,30)(H,27,29)/t;29-;28-;2*26-;;22-/m.1111.1/s1.
What are the key properties of N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide?
N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide has a molecular weight of 3249.91 g/mol, XLogP of 30.00, 58 rotatable bonds, 19 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(cyclohexylmethyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide;N-cyclopropyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[3-[(dimethylamino)methyl]phenyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 161355894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).