N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[5-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]pyridine-3-carboxamide;N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide

C169H172F10N28O20 — CID 159760817

IUPACN-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[5-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]pyridine-3-carboxamide;N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CC2(C)COC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCC#N)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCC#N)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCC#N)c1.Cc1ccc(NC(=O)c2cncc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CC2(C)COC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCC#N)c1
InChIInChI=1S/C31H35N5O4.C29H30F3N3O4.C29H30N6O3.C27H27F2N5O3.C27H26F2N4O3.C26H24F3N5O3/c1-21-5-6-25(34-28(37)22-11-24(15-33-14-22)30(2,3)17-32)13-26(21)23-12-27(35-7-9-39-10-8-35)29(38)36(16-23)18-31(4)19-40-20-31;1-19-6-7-23(33-26(36)20-4-3-5-22(12-20)29(30,31)32)14-24(19)21-13-25(34-8-10-38-11-9-34)27(37)35(15-21)16-28(2)17-39-18-28;1-20-5-6-23(33-27(36)21-7-9-32-26(16-21)29(2,3)19-31)17-24(20)22-15-25(34-11-13-38-14-12-34)28(37)35(18-22)10-4-8-30;1-18-4-5-21(32-25(35)19-6-8-31-24(15-19)27(2,28)29)16-22(18)20-14-23(33-10-12-37-13-11-33)26(36)34(17-20)9-3-7-30;1-18-6-7-22(31-26(34)20-5-2-4-19(14-20)25(28)29)16-23(18)21-15-24(32-10-12-36-13-11-32)27(35)33(17-21)9-3-8-30;1-17-22(14-21(15-31-17)32-24(35)18-4-2-5-20(12-18)26(27,28)29)19-13-23(33-8-10-37-11-9-33)25(36)34(16-19)7-3-6-30/h5-6,11-16H,7-10,18-20H2,1-4H3,(H,34,37);3-7,12-15H,8-11,16-18H2,1-2H3,(H,33,36);5-7,9,15-18H,4,10-14H2,1-3H3,(H,33,36);4-6,8,14-17H,3,9-13H2,1-2H3,(H,32,35);2,4-7,14-17,25H,3,9-13H2,1H3,(H,31,34);2,4-5,12-16H,3,7-11H2,1H3,(H,32,35)
InChIKeyNEVVSAGBBGYOFV-UHFFFAOYSA-N
MW3105.39 g/mol
LogP26.47
Rot. Bonds40

About N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[5-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]pyridine-3-carboxamide;N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[5-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]pyridine-3-carboxamide;N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 159760817) has the molecular formula C169H172F10N28O20 and a molecular weight of 3105.39 g/mol. Its IUPAC name is N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[5-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]pyridine-3-carboxamide;N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[5-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]pyridine-3-carboxamide;N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID159760817
Molecular FormulaC169H172F10N28O20
Molecular Weight3105.39 g/mol
Exact Mass3103.31
IUPAC NameN-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[5-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]pyridine-3-carboxamide;N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CC2(C)COC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCC#N)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCC#N)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCC#N)c1.Cc1ccc(NC(=O)c2cncc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CC2(C)COC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCC#N)c1
InChIInChI=1S/C31H35N5O4.C29H30F3N3O4.C29H30N6O3.C27H27F2N5O3.C27H26F2N4O3.C26H24F3N5O3/c1-21-5-6-25(34-28(37)22-11-24(15-33-14-22)30(2,3)17-32)13-26(21)23-12-27(35-7-9-39-10-8-35)29(38)36(16-23)18-31(4)19-40-20-31;1-19-6-7-23(33-26(36)20-4-3-5-22(12-20)29(30,31)32)14-24(19)21-13-25(34-8-10-38-11-9-34)27(37)35(15-21)16-28(2)17-39-18-28;1-20-5-6-23(33-27(36)21-7-9-32-26(16-21)29(2,3)19-31)17-24(20)22-15-25(34-11-13-38-14-12-34)28(37)35(18-22)10-4-8-30;1-18-4-5-21(32-25(35)19-6-8-31-24(15-19)27(2,28)29)16-22(18)20-14-23(33-10-12-37-13-11-33)26(36)34(17-20)9-3-7-30;1-18-6-7-22(31-26(34)20-5-2-4-19(14-20)25(28)29)16-23(18)21-15-24(32-10-12-36-13-11-32)27(35)33(17-21)9-3-8-30;1-17-22(14-21(15-31-17)32-24(35)18-4-2-5-20(12-18)26(27,28)29)19-13-23(33-8-10-37-11-9-33)25(36)34(16-19)7-3-6-30/h5-6,11-16H,7-10,18-20H2,1-4H3,(H,34,37);3-7,12-15H,8-11,16-18H2,1-2H3,(H,33,36);5-7,9,15-18H,4,10-14H2,1-3H3,(H,33,36);4-6,8,14-17H,3,9-13H2,1-2H3,(H,32,35);2,4-7,14-17,25H,3,9-13H2,1H3,(H,31,34);2,4-5,12-16H,3,7-11H2,1H3,(H,32,35)
InChIKeyNEVVSAGBBGYOFV-UHFFFAOYSA-N
XLogP26.47
TPSA594.18 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds40
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003105.39
LogP ≤ 526.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

Analyze N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[5-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]pyridine-3-carboxamide;N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

4-(2-cyanopropan-2-yl)-N-[3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-4-[2-[3-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-5-morpholin-4-yl-6-oxopyridazin-1-yl]ethyl]phenyl]pyridine-2-carboxamide
CID 130425779
3-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;3-(1,1-difluoroethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-[(2S)-oxolan-2-yl]acetamide;N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157282373
5-[5-[2-[3-(Difluoromethyl)phenyl]acetyl]-2-methylphenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;5-[5-[2-(3-ethylphenyl)acetyl]-2-methylphenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;2-methyl-2-[3-[2-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-oxoethyl]phenyl]propanenitrile;1-methyl-5-[2-methyl-5-(2-phenylacetyl)phenyl]-3-morpholin-4-ylpyridin-2-one;1-methyl-5-[2-methyl-5-[2-(3-propan-2-ylphenyl)acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one;1-methyl-5-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]-3-morpholin-4-ylpyridin-2-one;1-methyl-5-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]-3-morpholin-4-ylpyridin-2-one;1-methyl-5-[2-methyl-5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one
CID 157350660
3-(cyanomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide;2-cyclopropyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-methyl-6-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-4-morpholin-4-ylpyridazin-3-one
CID 157402875
N-[3-(2-amino-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]pyridine-4-carboxamide;N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157748921
6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 157792271
2-tert-butyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 157816318
2-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;3-(cyanomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide;2-cyclopropyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-methyl-6-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-4-morpholin-4-ylpyridazin-3-one
CID 157935136
2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
CID 158058408
(4aR,5R)-N-methyl-9-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxamide;bis((4aS,5R)-N-methyl-9-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxamide);(4aS,5S)-N-methyl-9-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxamide;N-methyl-9-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxamide;N-methyl-9-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxamide
CID 158229776
2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[3-[4-(2,2-difluoroethyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(4-ethyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158353972
2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 158531965

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[5-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]pyridine-3-carboxamide;N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[5-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]pyridine-3-carboxamide;N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide (CID 159760817) is N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[5-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]pyridine-3-carboxamide;N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[5-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]pyridine-3-carboxamide;N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[5-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]pyridine-3-carboxamide;N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CC2(C)COC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCC#N)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCC#N)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCC#N)c1.Cc1ccc(NC(=O)c2cncc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CC2(C)COC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCC#N)c1.
What is the InChIKey of N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[5-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]pyridine-3-carboxamide;N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NEVVSAGBBGYOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O4.C29H30F3N3O4.C29H30N6O3.C27H27F2N5O3.C27H26F2N4O3.C26H24F3N5O3/c1-21-5-6-25(34-28(37)22-11-24(15-33-14-22)30(2,3)17-32)13-26(21)23-12-27(35-7-9-39-10-8-35)29(38)36(16-23)18-31(4)19-40-20-31;1-19-6-7-23(33-26(36)20-4-3-5-22(12-20)29(30,31)32)14-24(19)21-13-25(34-8-10-38-11-9-34)27(37)35(15-21)16-28(2)17-39-18-28;1-20-5-6-23(33-27(36)21-7-9-32-26(16-21)29(2,3)19-31)17-24(20)22-15-25(34-11-13-38-14-12-34)28(37)35(18-22)10-4-8-30;1-18-4-5-21(32-25(35)19-6-8-31-24(15-19)27(2,28)29)16-22(18)20-14-23(33-10-12-37-13-11-33)26(36)34(17-20)9-3-7-30;1-18-6-7-22(31-26(34)20-5-2-4-19(14-20)25(28)29)16-23(18)21-15-24(32-10-12-36-13-11-32)27(35)33(17-21)9-3-8-30;1-17-22(14-21(15-31-17)32-24(35)18-4-2-5-20(12-18)26(27,28)29)19-13-23(33-8-10-37-11-9-33)25(36)34(16-19)7-3-6-30/h5-6,11-16H,7-10,18-20H2,1-4H3,(H,34,37);3-7,12-15H,8-11,16-18H2,1-2H3,(H,33,36);5-7,9,15-18H,4,10-14H2,1-3H3,(H,33,36);4-6,8,14-17H,3,9-13H2,1-2H3,(H,32,35);2,4-7,14-17,25H,3,9-13H2,1H3,(H,31,34);2,4-5,12-16H,3,7-11H2,1H3,(H,32,35).
What are the key properties of N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[5-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]pyridine-3-carboxamide;N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[5-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]pyridine-3-carboxamide;N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 3105.39 g/mol, XLogP of 26.47, 40 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[5-[1-(2-cyanoethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]pyridine-3-carboxamide;N-[4-methyl-3-[1-[(3-methyloxetan-3-yl)methyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159760817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).