N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)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-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide

C164H178N24O17 — CID 162135785

IUPACN-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)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-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESCN(C)C1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.CN(C)Cc1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cn3)c2)cc1.CN1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NCC2CCN(C)CC2)c1.O=C(NC1CCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cn2)c1
InChIInChI=1S/C30H31N5O3.C29H34N4O3.C28H32N4O2.C27H30N4O3.C25H26N4O3.C25H25N3O3/c1-35(2)19-22-8-6-21(7-9-22)17-33-29(37)25-5-3-4-24(16-25)28(20-36)34-30(38)27-11-10-26(18-32-27)23-12-14-31-15-13-23;1-33(2)26-12-10-25(11-13-26)31-29(36)24-5-3-4-23(18-24)27(19-34)32-28(35)22-8-6-20(7-9-22)21-14-16-30-17-15-21;1-20(31-28(34)24-8-6-22(7-9-24)23-10-14-29-15-11-23)25-4-3-5-26(18-25)27(33)30-19-21-12-16-32(2)17-13-21;1-31-15-11-24(12-16-31)29-27(34)23-4-2-3-22(17-23)25(18-32)30-26(33)21-7-5-19(6-8-21)20-9-13-28-14-10-20;30-16-23(18-4-3-5-19(14-18)24(31)28-21-6-1-2-7-21)29-25(32)22-9-8-20(15-27-22)17-10-12-26-13-11-17;29-16-23(20-3-1-4-21(15-20)25(31)27-22-5-2-6-22)28-24(30)19-9-7-17(8-10-19)18-11-13-26-14-12-18/h3-16,18,28,36H,17,19-20H2,1-2H3,(H,33,37)(H,34,38);3-9,14-18,25-27,34H,10-13,19H2,1-2H3,(H,31,36)(H,32,35);3-11,14-15,18,20-21H,12-13,16-17,19H2,1-2H3,(H,30,33)(H,31,34);2-10,13-14,17,24-25,32H,11-12,15-16,18H2,1H3,(H,29,34)(H,30,33);3-5,8-15,21,23,30H,1-2,6-7,16H2,(H,28,31)(H,29,32);1,3-4,7-15,22-23,29H,2,5-6,16H2,(H,27,31)(H,28,30)/t28-;25?,26?,27-;20-;25-;2*23-/m111111/s1
InChIKeyZJGLZZZJJQRRDZ-VIGKBYQFSA-N
MW2757.38 g/mol
LogP21.53
Rot. Bonds46

About N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)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-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide

N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)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-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (PubChem CID 162135785) has the molecular formula C164H178N24O17 and a molecular weight of 2757.38 g/mol. Its IUPAC name is N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)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-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)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-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
PubChem CID162135785
Molecular FormulaC164H178N24O17
Molecular Weight2757.38 g/mol
Exact Mass2755.38
IUPAC NameN-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)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-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESCN(C)C1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.CN(C)Cc1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cn3)c2)cc1.CN1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NCC2CCN(C)CC2)c1.O=C(NC1CCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cn2)c1
InChIInChI=1S/C30H31N5O3.C29H34N4O3.C28H32N4O2.C27H30N4O3.C25H26N4O3.C25H25N3O3/c1-35(2)19-22-8-6-21(7-9-22)17-33-29(37)25-5-3-4-24(16-25)28(20-36)34-30(38)27-11-10-26(18-32-27)23-12-14-31-15-13-23;1-33(2)26-12-10-25(11-13-26)31-29(36)24-5-3-4-23(18-24)27(19-34)32-28(35)22-8-6-20(7-9-22)21-14-16-30-17-15-21;1-20(31-28(34)24-8-6-22(7-9-24)23-10-14-29-15-11-23)25-4-3-5-26(18-25)27(33)30-19-21-12-16-32(2)17-13-21;1-31-15-11-24(12-16-31)29-27(34)23-4-2-3-22(17-23)25(18-32)30-26(33)21-7-5-19(6-8-21)20-9-13-28-14-10-20;30-16-23(18-4-3-5-19(14-18)24(31)28-21-6-1-2-7-21)29-25(32)22-9-8-20(15-27-22)17-10-12-26-13-11-17;29-16-23(20-3-1-4-21(15-20)25(31)27-22-5-2-6-22)28-24(30)19-9-7-17(8-10-19)18-11-13-26-14-12-18/h3-16,18,28,36H,17,19-20H2,1-2H3,(H,33,37)(H,34,38);3-9,14-18,25-27,34H,10-13,19H2,1-2H3,(H,31,36)(H,32,35);3-11,14-15,18,20-21H,12-13,16-17,19H2,1-2H3,(H,30,33)(H,31,34);2-10,13-14,17,24-25,32H,11-12,15-16,18H2,1H3,(H,29,34)(H,30,33);3-5,8-15,21,23,30H,1-2,6-7,16H2,(H,28,31)(H,29,32);1,3-4,7-15,22-23,29H,2,5-6,16H2,(H,27,31)(H,28,30)/t28-;25?,26?,27-;20-;25-;2*23-/m111111/s1
InChIKeyZJGLZZZJJQRRDZ-VIGKBYQFSA-N
XLogP21.53
TPSA566.43 Ų
H-Bond Donors17
H-Bond Acceptors29
Rotatable Bonds46
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002757.38
LogP ≤ 521.53
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1029

Analyze N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)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-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide with MolForge

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Related Compounds

Hydroxyethylamine-based inhibitor 17b
CID 6539273
N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide
CID 134475006
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide
CID 134475018
N-cyclopropyl-3-[(1R)-1-[[4-[2-[2-fluoro-4-[[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]methyl]phenyl]-4-pyridinyl]benzoyl]amino]ethyl]benzamide
CID 134475072
N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;propyl 2-phenyl-2-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]piperazin-1-yl]acetate
CID 161516590
(3R)-3-[5-[3-[2-[1-[(2S)-1-[[(1S)-2-carboxy-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl]-4-pyridinyl]-2,6-dimethylphenyl]-3-pyridinyl]-3-[[(2S)-2-(4,5-dimethyl-2-oxo-1-pyridinyl)-1-hydroxy-4-methylpentyl]amino]propanoic acid
CID 152963594
N-[(1S)-1-[3-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide
CID 156088532
1-Tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone
CID 157136309
2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide
CID 157246700
6-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
CID 157258238
6-[4-(4-carbamoylpiperidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
CID 157464120
tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;N-[[4-[(2,6-difluorophenyl)methylcarbamoyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]benzoic acid;methyl 4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]benzoate;methyl 4-[[(5-pentylpyridine-2-carbonyl)-piperidin-4-ylamino]methyl]benzoate;5-pentylpyridine-2-carboxylic acid
CID 157580367

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)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-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)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-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (CID 162135785) is N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)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-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)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-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)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-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is CN(C)C1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.CN(C)Cc1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cn3)c2)cc1.CN1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NCC2CCN(C)CC2)c1.O=C(NC1CCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cn2)c1.
What is the InChIKey of N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)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-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The InChIKey is ZJGLZZZJJQRRDZ-VIGKBYQFSA-N. The full InChI is InChI=1S/C30H31N5O3.C29H34N4O3.C28H32N4O2.C27H30N4O3.C25H26N4O3.C25H25N3O3/c1-35(2)19-22-8-6-21(7-9-22)17-33-29(37)25-5-3-4-24(16-25)28(20-36)34-30(38)27-11-10-26(18-32-27)23-12-14-31-15-13-23;1-33(2)26-12-10-25(11-13-26)31-29(36)24-5-3-4-23(18-24)27(19-34)32-28(35)22-8-6-20(7-9-22)21-14-16-30-17-15-21;1-20(31-28(34)24-8-6-22(7-9-24)23-10-14-29-15-11-23)25-4-3-5-26(18-25)27(33)30-19-21-12-16-32(2)17-13-21;1-31-15-11-24(12-16-31)29-27(34)23-4-2-3-22(17-23)25(18-32)30-26(33)21-7-5-19(6-8-21)20-9-13-28-14-10-20;30-16-23(18-4-3-5-19(14-18)24(31)28-21-6-1-2-7-21)29-25(32)22-9-8-20(15-27-22)17-10-12-26-13-11-17;29-16-23(20-3-1-4-21(15-20)25(31)27-22-5-2-6-22)28-24(30)19-9-7-17(8-10-19)18-11-13-26-14-12-18/h3-16,18,28,36H,17,19-20H2,1-2H3,(H,33,37)(H,34,38);3-9,14-18,25-27,34H,10-13,19H2,1-2H3,(H,31,36)(H,32,35);3-11,14-15,18,20-21H,12-13,16-17,19H2,1-2H3,(H,30,33)(H,31,34);2-10,13-14,17,24-25,32H,11-12,15-16,18H2,1H3,(H,29,34)(H,30,33);3-5,8-15,21,23,30H,1-2,6-7,16H2,(H,28,31)(H,29,32);1,3-4,7-15,22-23,29H,2,5-6,16H2,(H,27,31)(H,28,30)/t28-;25?,26?,27-;20-;25-;2*23-/m111111/s1.
What are the key properties of N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)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-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)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-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide has a molecular weight of 2757.38 g/mol, XLogP of 21.53, 46 rotatable bonds, 17 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;N-[4-(dimethylamino)cyclohexyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)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-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 162135785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).