N-benzyl-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-[3-[(dimethylamino)methyl]phenyl]-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;methane;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide

C162H160N20O18 — CID 161015765

IUPACN-benzyl-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-[3-[(dimethylamino)methyl]phenyl]-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;methane;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide
SMILESC.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)Cc1cccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.CNC(=O)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)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
InChIInChI=1S/C32H32N4O3.C30H30N4O3.C28H25N3O3.C25H25N3O3.C24H23N3O3.C22H21N3O3.CH4/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;1-34(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;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;1-23-21(27)19-4-2-3-18(13-19)20(14-26)25-22(28)17-7-5-15(6-8-17)16-9-11-24-12-10-16;/h3-13,15-16,18-19,22H,14,17,20-21H2,1-2H3,(H,34,38)(H,35,37);3-18,28,35H,19-20H2,1-2H3,(H,32,37)(H,33,36);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);2-13,20,26H,14H2,1H3,(H,23,27)(H,25,28);1H4/t;28-;26-;;22-;20-;/m.11.11./s1
InChIKeyTXRXYJRTQWWGGA-FBXOYGHFSA-N
MW2675.18 g/mol
LogP24.12
Rot. Bonds46

About N-benzyl-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-[3-[(dimethylamino)methyl]phenyl]-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;methane;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-[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-[3-[(dimethylamino)methyl]phenyl]-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;methane;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide (PubChem CID 161015765) has the molecular formula C162H160N20O18 and a molecular weight of 2675.18 g/mol. Its IUPAC name is N-benzyl-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-[3-[(dimethylamino)methyl]phenyl]-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;methane;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-[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-[3-[(dimethylamino)methyl]phenyl]-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;methane;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide
PubChem CID161015765
Molecular FormulaC162H160N20O18
Molecular Weight2675.18 g/mol
Exact Mass2673.22
IUPAC NameN-benzyl-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-[3-[(dimethylamino)methyl]phenyl]-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;methane;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide
SMILESC.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)Cc1cccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.CNC(=O)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)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
InChIInChI=1S/C32H32N4O3.C30H30N4O3.C28H25N3O3.C25H25N3O3.C24H23N3O3.C22H21N3O3.CH4/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;1-34(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;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;1-23-21(27)19-4-2-3-18(13-19)20(14-26)25-22(28)17-7-5-15(6-8-17)16-9-11-24-12-10-16;/h3-13,15-16,18-19,22H,14,17,20-21H2,1-2H3,(H,34,38)(H,35,37);3-18,28,35H,19-20H2,1-2H3,(H,32,37)(H,33,36);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);2-13,20,26H,14H2,1H3,(H,23,27)(H,25,28);1H4/t;28-;26-;;22-;20-;/m.11.11./s1
InChIKeyTXRXYJRTQWWGGA-FBXOYGHFSA-N
XLogP24.12
TPSA532.40 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds46
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002675.18
LogP ≤ 524.12
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

Analyze N-benzyl-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-[3-[(dimethylamino)methyl]phenyl]-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;methane;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
3-benzyl-4-[3-[(4-ethylphenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline;[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]-piperidin-1-ylmethanone;2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol;N-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methyl]-5-ethylnaphthalen-1-amine
CID 160329393
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
N-(2-bicyclo[2.2.2]octanylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-[2-[4-[3-[methyl(quinolin-5-ylmethyl)carbamoyl]phenoxy]piperidine-1-carbonyl]cyclopropyl]benzamide
CID 137452207
3-[2-(2-Anilinophenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-cyclopropyl-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-cyclopropyl-4-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-cyclopropyl-3-pyridinyl)ethyl]pyridine-4-carboxylic acid;3-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid
CID 157108328

Frequently Asked Questions

What is the IUPAC name of N-benzyl-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-[3-[(dimethylamino)methyl]phenyl]-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;methane;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-[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-[3-[(dimethylamino)methyl]phenyl]-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;methane;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide (CID 161015765) is N-benzyl-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-[3-[(dimethylamino)methyl]phenyl]-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;methane;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-[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-[3-[(dimethylamino)methyl]phenyl]-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;methane;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-[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-[3-[(dimethylamino)methyl]phenyl]-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;methane;N-[1-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2-oxoethoxy]phenyl]ethyl]-4-pyridin-4-ylbenzamide is C.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)Cc1cccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.CNC(=O)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)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.
What is the InChIKey of N-benzyl-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-[3-[(dimethylamino)methyl]phenyl]-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;methane;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 TXRXYJRTQWWGGA-FBXOYGHFSA-N. The full InChI is InChI=1S/C32H32N4O3.C30H30N4O3.C28H25N3O3.C25H25N3O3.C24H23N3O3.C22H21N3O3.CH4/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;1-34(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;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;1-23-21(27)19-4-2-3-18(13-19)20(14-26)25-22(28)17-7-5-15(6-8-17)16-9-11-24-12-10-16;/h3-13,15-16,18-19,22H,14,17,20-21H2,1-2H3,(H,34,38)(H,35,37);3-18,28,35H,19-20H2,1-2H3,(H,32,37)(H,33,36);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);2-13,20,26H,14H2,1H3,(H,23,27)(H,25,28);1H4/t;28-;26-;;22-;20-;/m.11.11./s1.
What are the key properties of N-benzyl-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-[3-[(dimethylamino)methyl]phenyl]-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;methane;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-[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-[3-[(dimethylamino)methyl]phenyl]-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;methane;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 2675.18 g/mol, XLogP of 24.12, 46 rotatable bonds, 16 hydrogen bond donors, and 26 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-[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-[3-[(dimethylamino)methyl]phenyl]-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;methane;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 161015765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).