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

C146H148FN19O13 — CID 159204686

IUPACN-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
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(-c5ccncc5)c4)c3)cc2C1.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.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;1-28(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);2-8,11-15,22-23,29H,9-10,16H2,1H3,(H,27,30)/t29-;22-;28-;20-,21?,29?;23-/m11111/s1
InChIKeyKPSNOQQUNBOVLR-HBACYPOASA-N
MW2395.91 g/mol
LogP22.86
Rot. Bonds37

About 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

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 (PubChem CID 159204686) has the molecular formula C146H148FN19O13 and a molecular weight of 2395.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID159204686
Molecular FormulaC146H148FN19O13
Molecular Weight2395.91 g/mol
Exact Mass2394.15
IUPAC NameN-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
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(-c5ccncc5)c4)c3)cc2C1.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.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;1-28(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);2-8,11-15,22-23,29H,9-10,16H2,1H3,(H,27,30)/t29-;22-;28-;20-,21?,29?;23-/m11111/s1
InChIKeyKPSNOQQUNBOVLR-HBACYPOASA-N
XLogP22.86
TPSA429.96 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds37
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002395.91
LogP ≤ 522.86
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Related Compounds

3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)benzamide
CID 134474981
N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-pyridin-4-ylbenzamide
CID 134474958
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 134474969
3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 134474971
3-[2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 134475065
3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 134475221
(2S)-3-[5-[6-[(dimethylamino)methyl]isoquinolin-1-yl]naphthalen-1-yl]-2-[[2-fluoro-6-(morpholin-4-ylmethyl)-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid
CID 177292221
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
(2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(7-fluoro-4-methylquinolin-2-yl)quinolin-5-yl]propanoic acid
CID 146614498
2-[5-[4-[(2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3,3-dihydroxypropyl]naphthalen-1-yl]-1,3-dimethyl-6-oxopyrazin-2-yl]ethyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate
CID 146627456
methyl (2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[5-fluoro-7-(trifluoromethyl)quinolin-8-yl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[4-methyl-3-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]propanoate
CID 157064763
ethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
CID 157121995

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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(-c5ccncc5)c4)c3)cc2C1.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-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?
The InChIKey is KPSNOQQUNBOVLR-HBACYPOASA-N. The full InChI is InChI=1S/C31H30N4O3.C31H32N4O2.C30H29N5O3.C29H32FN3O2.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;1-28(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);2-8,11-15,22-23,29H,9-10,16H2,1H3,(H,27,30)/t29-;22-;28-;20-,21?,29?;23-/m11111/s1.
What are the key properties of 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?
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 has a molecular weight of 2395.91 g/mol, XLogP of 22.86, 37 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159204686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).