N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[3-[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide;methane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[3-[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide

C126H159F3N18O15 — CID 158050896

IUPACN-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[3-[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide;methane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[3-[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide
SMILESC.COc1cc(C2CCC(N3CC(CC(=O)CNC(=O)c4cccc(C)c4)C3)CC2)ccn1.COc1ccc(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1.Cc1cccc(C(=O)NCC(=O)CC2CN(C3CCC(c4ccc(O)cn4)CC3)C2)c1.Cc1cccc(C(=O)NCC(=O)NC2CN(C3CCC(c4nc(C)ccc4O)CC3)C2)c1.Cc1cccc(C(=O)NCC(=O)NC2CN(C3CCC(c4ncccc4O)CC3)C2)c1
InChIInChI=1S/C26H33N3O3.C25H29F3N4O3.C25H32N4O3.C25H31N3O3.C24H30N4O3.CH4/c1-18-4-3-5-22(12-18)26(31)28-15-24(30)13-19-16-29(17-19)23-8-6-20(7-9-23)21-10-11-27-25(14-21)32-2;1-35-23-10-7-18(12-29-23)16-5-8-21(9-6-16)32-14-20(15-32)31-22(33)13-30-24(34)17-3-2-4-19(11-17)25(26,27)28;1-16-4-3-5-19(12-16)25(32)26-13-23(31)28-20-14-29(15-20)21-9-7-18(8-10-21)24-22(30)11-6-17(2)27-24;1-17-3-2-4-20(11-17)25(31)27-14-23(30)12-18-15-28(16-18)21-7-5-19(6-8-21)24-10-9-22(29)13-26-24;1-16-4-2-5-18(12-16)24(31)26-13-22(30)27-19-14-28(15-19)20-9-7-17(8-10-20)23-21(29)6-3-11-25-23;/h3-5,10-12,14,19-20,23H,6-9,13,15-17H2,1-2H3,(H,28,31);2-4,7,10-12,16,20-21H,5-6,8-9,13-15H2,1H3,(H,30,34)(H,31,33);3-6,11-12,18,20-21,30H,7-10,13-15H2,1-2H3,(H,26,32)(H,28,31);2-4,9-11,13,18-19,21,29H,5-8,12,14-16H2,1H3,(H,27,31);2-6,11-12,17,19-20,29H,7-10,13-15H2,1H3,(H,26,31)(H,27,30);1H4
InChIKeyFJLVVBLBHWJTBU-UHFFFAOYSA-N
MW2222.76 g/mol
LogP16.20
Rot. Bonds34

About N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[3-[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide;methane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[3-[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide

N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[3-[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide;methane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[3-[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide (PubChem CID 158050896) has the molecular formula C126H159F3N18O15 and a molecular weight of 2222.76 g/mol. Its IUPAC name is N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[3-[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide;methane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[3-[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[3-[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide;methane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[3-[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide
PubChem CID158050896
Molecular FormulaC126H159F3N18O15
Molecular Weight2222.76 g/mol
Exact Mass2221.22
IUPAC NameN-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[3-[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide;methane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[3-[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide
SMILESC.COc1cc(C2CCC(N3CC(CC(=O)CNC(=O)c4cccc(C)c4)C3)CC2)ccn1.COc1ccc(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1.Cc1cccc(C(=O)NCC(=O)CC2CN(C3CCC(c4ccc(O)cn4)CC3)C2)c1.Cc1cccc(C(=O)NCC(=O)NC2CN(C3CCC(c4nc(C)ccc4O)CC3)C2)c1.Cc1cccc(C(=O)NCC(=O)NC2CN(C3CCC(c4ncccc4O)CC3)C2)c1
InChIInChI=1S/C26H33N3O3.C25H29F3N4O3.C25H32N4O3.C25H31N3O3.C24H30N4O3.CH4/c1-18-4-3-5-22(12-18)26(31)28-15-24(30)13-19-16-29(17-19)23-8-6-20(7-9-23)21-10-11-27-25(14-21)32-2;1-35-23-10-7-18(12-29-23)16-5-8-21(9-6-16)32-14-20(15-32)31-22(33)13-30-24(34)17-3-2-4-19(11-17)25(26,27)28;1-16-4-3-5-19(12-16)25(32)26-13-23(31)28-20-14-29(15-20)21-9-7-18(8-10-21)24-22(30)11-6-17(2)27-24;1-17-3-2-4-20(11-17)25(31)27-14-23(30)12-18-15-28(16-18)21-7-5-19(6-8-21)24-10-9-22(29)13-26-24;1-16-4-2-5-18(12-16)24(31)26-13-22(30)27-19-14-28(15-19)20-9-7-17(8-10-20)23-21(29)6-3-11-25-23;/h3-5,10-12,14,19-20,23H,6-9,13,15-17H2,1-2H3,(H,28,31);2-4,7,10-12,16,20-21H,5-6,8-9,13-15H2,1H3,(H,30,34)(H,31,33);3-6,11-12,18,20-21,30H,7-10,13-15H2,1-2H3,(H,26,32)(H,28,31);2-4,9-11,13,18-19,21,29H,5-8,12,14-16H2,1H3,(H,27,31);2-6,11-12,17,19-20,29H,7-10,13-15H2,1H3,(H,26,31)(H,27,30);1H4
InChIKeyFJLVVBLBHWJTBU-UHFFFAOYSA-N
XLogP16.20
TPSA426.74 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002222.76
LogP ≤ 516.20
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[3-[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide;methane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[3-[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide with MolForge

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Related Compounds

N-[2-[[1-[4-[2-[2-(3-hydroxypyridin-2-yl)-5-[3-[[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]azetidin-1-yl]cyclohexyl]-6-methoxypyridin-3-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 90697036
N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 90726666
N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 91280019
N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 91451805
ethane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;2-[4-[3-(methylamino)azetidin-1-yl]cyclohexyl]pyridin-3-ol;N-(2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 144076553
N-[2-[[1-[4-(6-cyclobutyloxy-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[6-(2-fluoroacetyl)-3-pyridinyl]-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-isocyano-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-5-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-propan-2-yloxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;molecular fluorine
CID 157092087
N-[2-[[1-[4-(6-ethoxy-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(6-fluoro-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(1-hydroxy-6-methoxypyridin-1-ium-3-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(5-methoxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 157423983
3-(1,1-difluoroethyl)-4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-2-phenylethyl]-3-(trifluoromethyl)benzamide;4-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide
CID 157433681
3,4-difluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-5-methylbenzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-5-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-4-methylbenzamide;N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide
CID 157472419
N-[2-[[1-[4-(3-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(5-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(3-hydroxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(1-methyl-6-oxo-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 157996857
3-(3-Fluoro-2-pyridinyl)propanal;3-(6-fluoro-2-pyridinyl)propanal;3-(5-hydroxy-2-pyridinyl)propanal;3-[3-(6-methoxy-3-pyridinyl)phenyl]propanal;3-[3-(6-methyl-3-pyridinyl)phenyl]propanal;5-[3-(3-oxopropyl)phenyl]pyridine-2-carboxylic acid;3-pyridin-2-ylpropanal;3-pyridin-3-ylpropanal;3-pyridin-4-ylpropanal;3-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propanal
CID 158230669
bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S,4R)-4-hydroxy-2-oxo-1-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(3S,4S)-4-amino-3-methyl-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[methyl-[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(E)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]but-1-en-2-yl]amino]pentyl]-methylazanium
CID 158361410

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[3-[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide;methane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[3-[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide?
The IUPAC name of N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[3-[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide;methane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[3-[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide (CID 158050896) is N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[3-[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide;methane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[3-[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[3-[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide;methane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[3-[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[3-[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide;methane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[3-[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide is C.COc1cc(C2CCC(N3CC(CC(=O)CNC(=O)c4cccc(C)c4)C3)CC2)ccn1.COc1ccc(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1.Cc1cccc(C(=O)NCC(=O)CC2CN(C3CCC(c4ccc(O)cn4)CC3)C2)c1.Cc1cccc(C(=O)NCC(=O)NC2CN(C3CCC(c4nc(C)ccc4O)CC3)C2)c1.Cc1cccc(C(=O)NCC(=O)NC2CN(C3CCC(c4ncccc4O)CC3)C2)c1.
What is the InChIKey of N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[3-[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide;methane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[3-[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide?
The InChIKey is FJLVVBLBHWJTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3.C25H29F3N4O3.C25H32N4O3.C25H31N3O3.C24H30N4O3.CH4/c1-18-4-3-5-22(12-18)26(31)28-15-24(30)13-19-16-29(17-19)23-8-6-20(7-9-23)21-10-11-27-25(14-21)32-2;1-35-23-10-7-18(12-29-23)16-5-8-21(9-6-16)32-14-20(15-32)31-22(33)13-30-24(34)17-3-2-4-19(11-17)25(26,27)28;1-16-4-3-5-19(12-16)25(32)26-13-23(31)28-20-14-29(15-20)21-9-7-18(8-10-21)24-22(30)11-6-17(2)27-24;1-17-3-2-4-20(11-17)25(31)27-14-23(30)12-18-15-28(16-18)21-7-5-19(6-8-21)24-10-9-22(29)13-26-24;1-16-4-2-5-18(12-16)24(31)26-13-22(30)27-19-14-28(15-19)20-9-7-17(8-10-20)23-21(29)6-3-11-25-23;/h3-5,10-12,14,19-20,23H,6-9,13,15-17H2,1-2H3,(H,28,31);2-4,7,10-12,16,20-21H,5-6,8-9,13-15H2,1H3,(H,30,34)(H,31,33);3-6,11-12,18,20-21,30H,7-10,13-15H2,1-2H3,(H,26,32)(H,28,31);2-4,9-11,13,18-19,21,29H,5-8,12,14-16H2,1H3,(H,27,31);2-6,11-12,17,19-20,29H,7-10,13-15H2,1H3,(H,26,31)(H,27,30);1H4.
What are the key properties of N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[3-[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide;methane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[3-[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide?
N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[3-[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide;methane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[3-[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide has a molecular weight of 2222.76 g/mol, XLogP of 16.20, 34 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[3-[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide;methane;N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[3-[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-oxopropyl]-3-methylbenzamide is sourced from PubChem (CID 158050896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).