1-cyclohexyl-3-(propan-2-ylamino)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(propan-2-ylamino)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-2-ylmethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3R)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3S)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-oxaspiro[3.3]heptan-6-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxolan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-[6-(propan-2-ylamino)-2-pyridinyl]azetidin-3-ol;3-[6-(propan-2-ylamino)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol

C226H328F2N38O27 — CID 167678462

IUPAC1-cyclohexyl-3-(propan-2-ylamino)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(propan-2-ylamino)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-2-ylmethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3R)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3S)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-oxaspiro[3.3]heptan-6-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxolan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-[6-(propan-2-ylamino)-2-pyridinyl]azetidin-3-ol;3-[6-(propan-2-ylamino)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol
SMILESCC(C)Nc1cccc(N2CC(O)C2)n1.CC(C)Nc1cccc(N2CCOC2=O)n1.CC(C)Nc1cccn(C2CC3(COC3)C2)c1=O.CC(C)Nc1cccn(C2CCCCC2)c1=O.CC(C)Nc1cccn(C2CCCN(CCF)C2)c1=O.CC(C)Nc1cccn(C2CCCOC2)c1=O.CC(C)Nc1cccn(C2CCOC2)c1=O.CC(C)Nc1cccn(C2CCOCC2)c1=O.CC(C)Nc1cccn(CC2CCCCO2)c1=O.CC(C)Nc1cccn(CCOC2CC2)c1=O.CC(C)Nc1cccn([C@H]2CC[C@H]2O)c1=O.CC(C)Nc1cccnc1OC(CO)CO.CC(C)Nc1ccnn(-c2ccc(F)cc2)c1=O.CC(C)c1cn(C2CCCOC2)c2ncccc12.CC(C)c1cn(C2CCOCC2)c2ncccc12.CC(C)c1cn([C@@H]2CCCOC2)c2ncccc12.CC(C)c1cn([C@H]2CCCOC2)c2ncccc12
InChIInChI=1S/C15H24FN3O.4C15H20N2O.C14H20N2O2.C14H22N2O2.C14H22N2O.C13H14FN3O.3C13H20N2O2.2C12H18N2O2.C11H15N3O2.C11H17N3O.C11H18N2O3/c1-12(2)17-14-6-4-9-19(15(14)20)13-5-3-8-18(11-13)10-7-16;3*1-11(2)14-9-17(12-5-4-8-18-10-12)15-13(14)6-3-7-16-15;1-11(2)14-10-17(12-5-8-18-9-6-12)15-13(14)4-3-7-16-15;1-10(2)15-12-4-3-5-16(13(12)17)11-6-14(7-11)8-18-9-14;1-11(2)15-13-7-5-8-16(14(13)17)10-12-6-3-4-9-18-12;1-11(2)15-13-9-6-10-16(14(13)17)12-7-4-3-5-8-12;1-9(2)16-12-7-8-15-17(13(12)18)11-5-3-10(14)4-6-11;1-10(2)14-12-6-3-7-15(13(12)16)11-5-4-8-17-9-11;1-10(2)14-12-4-3-7-15(13(12)16)11-5-8-17-9-6-11;1-10(2)14-12-4-3-7-15(13(12)16)8-9-17-11-5-6-11;1-8(2)13-9-4-3-7-14(12(9)16)10-5-6-11(10)15;1-9(2)13-11-4-3-6-14(12(11)15)10-5-7-16-8-10;1-8(2)12-9-4-3-5-10(13-9)14-6-7-16-11(14)15;1-8(2)12-10-4-3-5-11(13-10)14-6-9(15)7-14;1-8(2)13-10-4-3-5-12-11(10)16-9(6-14)7-15/h4,6,9,12-13,17H,3,5,7-8,10-11H2,1-2H3;3*3,6-7,9,11-12H,4-5,8,10H2,1-2H3;3-4,7,10-12H,5-6,8-9H2,1-2H3;3-5,10-11,15H,6-9H2,1-2H3;5,7-8,11-12,15H,3-4,6,9-10H2,1-2H3;6,9-12,15H,3-5,7-8H2,1-2H3;3-9,16H,1-2H3;3,6-7,10-11,14H,4-5,8-9H2,1-2H3;2*3-4,7,10-11,14H,5-6,8-9H2,1-2H3;3-4,7-8,10-11,13,15H,5-6H2,1-2H3;3-4,6,9-10,13H,5,7-8H2,1-2H3;3-5,8H,6-7H2,1-2H3,(H,12,13);3-5,8-9,15H,6-7H2,1-2H3,(H,12,13);3-5,8-9,13-15H,6-7H2,1-2H3/t;2*12-;;;;;;;;;;10-,11+;;;;/m.10.........0..../s1
InChIKeyVEAPGBKKMOZVDT-LSOSGQGZSA-N
MW4047.34 g/mol
LogP38.40
Rot. Bonds56

About 1-cyclohexyl-3-(propan-2-ylamino)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(propan-2-ylamino)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-2-ylmethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3R)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3S)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-oxaspiro[3.3]heptan-6-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxolan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-[6-(propan-2-ylamino)-2-pyridinyl]azetidin-3-ol;3-[6-(propan-2-ylamino)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol

1-cyclohexyl-3-(propan-2-ylamino)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(propan-2-ylamino)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-2-ylmethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3R)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3S)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-oxaspiro[3.3]heptan-6-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxolan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-[6-(propan-2-ylamino)-2-pyridinyl]azetidin-3-ol;3-[6-(propan-2-ylamino)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol (PubChem CID 167678462) has the molecular formula C226H328F2N38O27 and a molecular weight of 4047.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-(propan-2-ylamino)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(propan-2-ylamino)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-2-ylmethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3R)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3S)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-oxaspiro[3.3]heptan-6-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxolan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-[6-(propan-2-ylamino)-2-pyridinyl]azetidin-3-ol;3-[6-(propan-2-ylamino)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol.

Molecular Properties

Compound Name1-cyclohexyl-3-(propan-2-ylamino)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(propan-2-ylamino)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-2-ylmethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3R)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3S)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-oxaspiro[3.3]heptan-6-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxolan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-[6-(propan-2-ylamino)-2-pyridinyl]azetidin-3-ol;3-[6-(propan-2-ylamino)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol
PubChem CID167678462
Molecular FormulaC226H328F2N38O27
Molecular Weight4047.34 g/mol
Exact Mass4044.54
IUPAC Name1-cyclohexyl-3-(propan-2-ylamino)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(propan-2-ylamino)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-2-ylmethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3R)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3S)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-oxaspiro[3.3]heptan-6-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxolan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-[6-(propan-2-ylamino)-2-pyridinyl]azetidin-3-ol;3-[6-(propan-2-ylamino)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol
SMILESCC(C)Nc1cccc(N2CC(O)C2)n1.CC(C)Nc1cccc(N2CCOC2=O)n1.CC(C)Nc1cccn(C2CC3(COC3)C2)c1=O.CC(C)Nc1cccn(C2CCCCC2)c1=O.CC(C)Nc1cccn(C2CCCN(CCF)C2)c1=O.CC(C)Nc1cccn(C2CCCOC2)c1=O.CC(C)Nc1cccn(C2CCOC2)c1=O.CC(C)Nc1cccn(C2CCOCC2)c1=O.CC(C)Nc1cccn(CC2CCCCO2)c1=O.CC(C)Nc1cccn(CCOC2CC2)c1=O.CC(C)Nc1cccn([C@H]2CC[C@H]2O)c1=O.CC(C)Nc1cccnc1OC(CO)CO.CC(C)Nc1ccnn(-c2ccc(F)cc2)c1=O.CC(C)c1cn(C2CCCOC2)c2ncccc12.CC(C)c1cn(C2CCOCC2)c2ncccc12.CC(C)c1cn([C@@H]2CCCOC2)c2ncccc12.CC(C)c1cn([C@H]2CCCOC2)c2ncccc12
InChIInChI=1S/C15H24FN3O.4C15H20N2O.C14H20N2O2.C14H22N2O2.C14H22N2O.C13H14FN3O.3C13H20N2O2.2C12H18N2O2.C11H15N3O2.C11H17N3O.C11H18N2O3/c1-12(2)17-14-6-4-9-19(15(14)20)13-5-3-8-18(11-13)10-7-16;3*1-11(2)14-9-17(12-5-4-8-18-10-12)15-13(14)6-3-7-16-15;1-11(2)14-10-17(12-5-8-18-9-6-12)15-13(14)4-3-7-16-15;1-10(2)15-12-4-3-5-16(13(12)17)11-6-14(7-11)8-18-9-14;1-11(2)15-13-7-5-8-16(14(13)17)10-12-6-3-4-9-18-12;1-11(2)15-13-9-6-10-16(14(13)17)12-7-4-3-5-8-12;1-9(2)16-12-7-8-15-17(13(12)18)11-5-3-10(14)4-6-11;1-10(2)14-12-6-3-7-15(13(12)16)11-5-4-8-17-9-11;1-10(2)14-12-4-3-7-15(13(12)16)11-5-8-17-9-6-11;1-10(2)14-12-4-3-7-15(13(12)16)8-9-17-11-5-6-11;1-8(2)13-9-4-3-7-14(12(9)16)10-5-6-11(10)15;1-9(2)13-11-4-3-6-14(12(11)15)10-5-7-16-8-10;1-8(2)12-9-4-3-5-10(13-9)14-6-7-16-11(14)15;1-8(2)12-10-4-3-5-11(13-10)14-6-9(15)7-14;1-8(2)13-10-4-3-5-12-11(10)16-9(6-14)7-15/h4,6,9,12-13,17H,3,5,7-8,10-11H2,1-2H3;3*3,6-7,9,11-12H,4-5,8,10H2,1-2H3;3-4,7,10-12H,5-6,8-9H2,1-2H3;3-5,10-11,15H,6-9H2,1-2H3;5,7-8,11-12,15H,3-4,6,9-10H2,1-2H3;6,9-12,15H,3-5,7-8H2,1-2H3;3-9,16H,1-2H3;3,6-7,10-11,14H,4-5,8-9H2,1-2H3;2*3-4,7,10-11,14H,5-6,8-9H2,1-2H3;3-4,7-8,10-11,13,15H,5-6H2,1-2H3;3-4,6,9-10,13H,5,7-8H2,1-2H3;3-5,8H,6-7H2,1-2H3,(H,12,13);3-5,8-9,15H,6-7H2,1-2H3,(H,12,13);3-5,8-9,13-15H,6-7H2,1-2H3/t;2*12-;;;;;;;;;;10-,11+;;;;/m.10.........0..../s1
InChIKeyVEAPGBKKMOZVDT-LSOSGQGZSA-N
XLogP38.40
TPSA717.70 Ų
H-Bond Donors17
H-Bond Acceptors64
Rotatable Bonds56
Heavy Atoms293
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004047.34
LogP ≤ 538.40
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1064

Analyze 1-cyclohexyl-3-(propan-2-ylamino)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(propan-2-ylamino)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-2-ylmethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3R)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3S)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-oxaspiro[3.3]heptan-6-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxolan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-[6-(propan-2-ylamino)-2-pyridinyl]azetidin-3-ol;3-[6-(propan-2-ylamino)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(propan-2-ylamino)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(propan-2-ylamino)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-2-ylmethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3R)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3S)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-oxaspiro[3.3]heptan-6-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxolan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-[6-(propan-2-ylamino)-2-pyridinyl]azetidin-3-ol;3-[6-(propan-2-ylamino)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol?
The IUPAC name of 1-cyclohexyl-3-(propan-2-ylamino)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(propan-2-ylamino)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-2-ylmethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3R)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3S)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-oxaspiro[3.3]heptan-6-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxolan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-[6-(propan-2-ylamino)-2-pyridinyl]azetidin-3-ol;3-[6-(propan-2-ylamino)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol (CID 167678462) is 1-cyclohexyl-3-(propan-2-ylamino)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(propan-2-ylamino)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-2-ylmethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3R)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3S)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-oxaspiro[3.3]heptan-6-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxolan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-[6-(propan-2-ylamino)-2-pyridinyl]azetidin-3-ol;3-[6-(propan-2-ylamino)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol.
What is the SMILES notation for 1-cyclohexyl-3-(propan-2-ylamino)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(propan-2-ylamino)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-2-ylmethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3R)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3S)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-oxaspiro[3.3]heptan-6-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxolan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-[6-(propan-2-ylamino)-2-pyridinyl]azetidin-3-ol;3-[6-(propan-2-ylamino)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol?
The canonical SMILES for 1-cyclohexyl-3-(propan-2-ylamino)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(propan-2-ylamino)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-2-ylmethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3R)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3S)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-oxaspiro[3.3]heptan-6-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxolan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-[6-(propan-2-ylamino)-2-pyridinyl]azetidin-3-ol;3-[6-(propan-2-ylamino)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol is CC(C)Nc1cccc(N2CC(O)C2)n1.CC(C)Nc1cccc(N2CCOC2=O)n1.CC(C)Nc1cccn(C2CC3(COC3)C2)c1=O.CC(C)Nc1cccn(C2CCCCC2)c1=O.CC(C)Nc1cccn(C2CCCN(CCF)C2)c1=O.CC(C)Nc1cccn(C2CCCOC2)c1=O.CC(C)Nc1cccn(C2CCOC2)c1=O.CC(C)Nc1cccn(C2CCOCC2)c1=O.CC(C)Nc1cccn(CC2CCCCO2)c1=O.CC(C)Nc1cccn(CCOC2CC2)c1=O.CC(C)Nc1cccn([C@H]2CC[C@H]2O)c1=O.CC(C)Nc1cccnc1OC(CO)CO.CC(C)Nc1ccnn(-c2ccc(F)cc2)c1=O.CC(C)c1cn(C2CCCOC2)c2ncccc12.CC(C)c1cn(C2CCOCC2)c2ncccc12.CC(C)c1cn([C@@H]2CCCOC2)c2ncccc12.CC(C)c1cn([C@H]2CCCOC2)c2ncccc12.
What is the InChIKey of 1-cyclohexyl-3-(propan-2-ylamino)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(propan-2-ylamino)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-2-ylmethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3R)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3S)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-oxaspiro[3.3]heptan-6-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxolan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-[6-(propan-2-ylamino)-2-pyridinyl]azetidin-3-ol;3-[6-(propan-2-ylamino)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol?
The InChIKey is VEAPGBKKMOZVDT-LSOSGQGZSA-N. The full InChI is InChI=1S/C15H24FN3O.4C15H20N2O.C14H20N2O2.C14H22N2O2.C14H22N2O.C13H14FN3O.3C13H20N2O2.2C12H18N2O2.C11H15N3O2.C11H17N3O.C11H18N2O3/c1-12(2)17-14-6-4-9-19(15(14)20)13-5-3-8-18(11-13)10-7-16;3*1-11(2)14-9-17(12-5-4-8-18-10-12)15-13(14)6-3-7-16-15;1-11(2)14-10-17(12-5-8-18-9-6-12)15-13(14)4-3-7-16-15;1-10(2)15-12-4-3-5-16(13(12)17)11-6-14(7-11)8-18-9-14;1-11(2)15-13-7-5-8-16(14(13)17)10-12-6-3-4-9-18-12;1-11(2)15-13-9-6-10-16(14(13)17)12-7-4-3-5-8-12;1-9(2)16-12-7-8-15-17(13(12)18)11-5-3-10(14)4-6-11;1-10(2)14-12-6-3-7-15(13(12)16)11-5-4-8-17-9-11;1-10(2)14-12-4-3-7-15(13(12)16)11-5-8-17-9-6-11;1-10(2)14-12-4-3-7-15(13(12)16)8-9-17-11-5-6-11;1-8(2)13-9-4-3-7-14(12(9)16)10-5-6-11(10)15;1-9(2)13-11-4-3-6-14(12(11)15)10-5-7-16-8-10;1-8(2)12-9-4-3-5-10(13-9)14-6-7-16-11(14)15;1-8(2)12-10-4-3-5-11(13-10)14-6-9(15)7-14;1-8(2)13-10-4-3-5-12-11(10)16-9(6-14)7-15/h4,6,9,12-13,17H,3,5,7-8,10-11H2,1-2H3;3*3,6-7,9,11-12H,4-5,8,10H2,1-2H3;3-4,7,10-12H,5-6,8-9H2,1-2H3;3-5,10-11,15H,6-9H2,1-2H3;5,7-8,11-12,15H,3-4,6,9-10H2,1-2H3;6,9-12,15H,3-5,7-8H2,1-2H3;3-9,16H,1-2H3;3,6-7,10-11,14H,4-5,8-9H2,1-2H3;2*3-4,7,10-11,14H,5-6,8-9H2,1-2H3;3-4,7-8,10-11,13,15H,5-6H2,1-2H3;3-4,6,9-10,13H,5,7-8H2,1-2H3;3-5,8H,6-7H2,1-2H3,(H,12,13);3-5,8-9,15H,6-7H2,1-2H3,(H,12,13);3-5,8-9,13-15H,6-7H2,1-2H3/t;2*12-;;;;;;;;;;10-,11+;;;;/m.10.........0..../s1.
What are the key properties of 1-cyclohexyl-3-(propan-2-ylamino)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(propan-2-ylamino)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-2-ylmethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3R)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3S)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-oxaspiro[3.3]heptan-6-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxolan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-[6-(propan-2-ylamino)-2-pyridinyl]azetidin-3-ol;3-[6-(propan-2-ylamino)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol?
1-cyclohexyl-3-(propan-2-ylamino)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(propan-2-ylamino)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-2-ylmethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3R)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3S)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-oxaspiro[3.3]heptan-6-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxolan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-[6-(propan-2-ylamino)-2-pyridinyl]azetidin-3-ol;3-[6-(propan-2-ylamino)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol has a molecular weight of 4047.34 g/mol, XLogP of 38.40, 56 rotatable bonds, 17 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(propan-2-ylamino)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(propan-2-ylamino)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-2-ylmethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxan-3-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3R)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(3S)-oxan-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(oxan-4-yl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-oxaspiro[3.3]heptan-6-yl)-3-(propan-2-ylamino)pyridin-2-one;1-(oxolan-3-yl)-3-(propan-2-ylamino)pyridin-2-one;1-[6-(propan-2-ylamino)-2-pyridinyl]azetidin-3-ol;3-[6-(propan-2-ylamino)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol is sourced from PubChem (CID 167678462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).