2-(2-cyanopropan-2-yl)-N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C192H185F13N30O31 — CID 158327145

IUPAC2-(2-cyanopropan-2-yl)-N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1C1(F)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)ccc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)cnc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1C1(F)COC1
InChIInChI=1S/C26H26N4O4.C25H24FN5O3.C25H27N3O5.C24H23F2N3O4.C24H25FN4O4.C23H20F3N3O4.C23H22F2N4O4.C22H18F4N4O3/c1-16-5-6-19(30-23(31)17-7-8-28-22(10-17)25(2,3)13-27)11-20(16)18-9-21(24(33-4)29-12-18)26(32)14-34-15-26;1-15-19(17-7-20(23(33-4)30-10-17)25(26)13-34-14-25)9-18(11-29-15)31-22(32)16-5-6-28-21(8-16)24(2,3)12-27;1-15-5-6-18(28-22(29)16-7-8-26-21(10-16)24(2,3)30)11-19(15)17-9-20(23(32-4)27-12-17)25(31)13-33-14-25;1-14-4-5-17(29-21(30)15-6-7-27-20(9-15)23(2,25)26)10-18(14)16-8-19(22(32-3)28-11-16)24(31)12-33-13-24;1-14-18(16-7-19(22(32-4)28-10-16)24(31)12-33-13-24)9-17(11-27-14)29-21(30)15-5-6-26-20(8-15)23(2,3)25;1-13-3-4-16(29-20(30)14-5-6-27-19(8-14)23(24,25)26)9-17(13)15-7-18(21(32-2)28-10-15)22(31)11-33-12-22;1-13-17(15-6-18(21(32-3)28-9-15)23(31)11-33-12-23)8-16(10-27-13)29-20(30)14-4-5-26-19(7-14)22(2,24)25;1-12-16(14-5-17(20(32-2)29-8-14)21(23)10-33-11-21)7-15(9-28-12)30-19(31)13-3-4-27-18(6-13)22(24,25)26/h5-12,32H,14-15H2,1-4H3,(H,30,31);5-11H,13-14H2,1-4H3,(H,31,32);5-12,30-31H,13-14H2,1-4H3,(H,28,29);4-11,31H,12-13H2,1-3H3,(H,29,30);5-11,31H,12-13H2,1-4H3,(H,29,30);3-10,31H,11-12H2,1-2H3,(H,29,30);4-10,31H,11-12H2,1-3H3,(H,29,30);3-9H,10-11H2,1-2H3,(H,30,31)
InChIKeyGPNYPUOFZHXNIZ-UHFFFAOYSA-N
MW3655.74 g/mol
LogP30.28
Rot. Bonds46

About 2-(2-cyanopropan-2-yl)-N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

2-(2-cyanopropan-2-yl)-N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158327145) has the molecular formula C192H185F13N30O31 and a molecular weight of 3655.74 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID158327145
Molecular FormulaC192H185F13N30O31
Molecular Weight3655.74 g/mol
Exact Mass3653.36
IUPAC Name2-(2-cyanopropan-2-yl)-N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1C1(F)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)ccc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)cnc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1C1(F)COC1
InChIInChI=1S/C26H26N4O4.C25H24FN5O3.C25H27N3O5.C24H23F2N3O4.C24H25FN4O4.C23H20F3N3O4.C23H22F2N4O4.C22H18F4N4O3/c1-16-5-6-19(30-23(31)17-7-8-28-22(10-17)25(2,3)13-27)11-20(16)18-9-21(24(33-4)29-12-18)26(32)14-34-15-26;1-15-19(17-7-20(23(33-4)30-10-17)25(26)13-34-14-25)9-18(11-29-15)31-22(32)16-5-6-28-21(8-16)24(2,3)12-27;1-15-5-6-18(28-22(29)16-7-8-26-21(10-16)24(2,3)30)11-19(15)17-9-20(23(32-4)27-12-17)25(31)13-33-14-25;1-14-4-5-17(29-21(30)15-6-7-27-20(9-15)23(2,25)26)10-18(14)16-8-19(22(32-3)28-11-16)24(31)12-33-13-24;1-14-18(16-7-19(22(32-4)28-10-16)24(31)12-33-13-24)9-17(11-27-14)29-21(30)15-5-6-26-20(8-15)23(2,3)25;1-13-3-4-16(29-20(30)14-5-6-27-19(8-14)23(24,25)26)9-17(13)15-7-18(21(32-2)28-10-15)22(31)11-33-12-22;1-13-17(15-6-18(21(32-3)28-9-15)23(31)11-33-12-23)8-16(10-27-13)29-20(30)14-4-5-26-19(7-14)22(2,24)25;1-12-16(14-5-17(20(32-2)29-8-14)21(23)10-33-11-21)7-15(9-28-12)30-19(31)13-3-4-27-18(6-13)22(24,25)26/h5-12,32H,14-15H2,1-4H3,(H,30,31);5-11H,13-14H2,1-4H3,(H,31,32);5-12,30-31H,13-14H2,1-4H3,(H,28,29);4-11,31H,12-13H2,1-3H3,(H,29,30);5-11,31H,12-13H2,1-4H3,(H,29,30);3-10,31H,11-12H2,1-2H3,(H,29,30);4-10,31H,11-12H2,1-3H3,(H,29,30);3-9H,10-11H2,1-2H3,(H,30,31)
InChIKeyGPNYPUOFZHXNIZ-UHFFFAOYSA-N
XLogP30.28
TPSA827.47 Ų
H-Bond Donors15
H-Bond Acceptors53
Rotatable Bonds46
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003655.74
LogP ≤ 530.28
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1053

Analyze 2-(2-cyanopropan-2-yl)-N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 158327145) is 2-(2-cyanopropan-2-yl)-N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1C1(F)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)ccc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)cnc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1C1(O)COC1.COc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1C1(F)COC1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is GPNYPUOFZHXNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4.C25H24FN5O3.C25H27N3O5.C24H23F2N3O4.C24H25FN4O4.C23H20F3N3O4.C23H22F2N4O4.C22H18F4N4O3/c1-16-5-6-19(30-23(31)17-7-8-28-22(10-17)25(2,3)13-27)11-20(16)18-9-21(24(33-4)29-12-18)26(32)14-34-15-26;1-15-19(17-7-20(23(33-4)30-10-17)25(26)13-34-14-25)9-18(11-29-15)31-22(32)16-5-6-28-21(8-16)24(2,3)12-27;1-15-5-6-18(28-22(29)16-7-8-26-21(10-16)24(2,3)30)11-19(15)17-9-20(23(32-4)27-12-17)25(31)13-33-14-25;1-14-4-5-17(29-21(30)15-6-7-27-20(9-15)23(2,25)26)10-18(14)16-8-19(22(32-3)28-11-16)24(31)12-33-13-24;1-14-18(16-7-19(22(32-4)28-10-16)24(31)12-33-13-24)9-17(11-27-14)29-21(30)15-5-6-26-20(8-15)23(2,3)25;1-13-3-4-16(29-20(30)14-5-6-27-19(8-14)23(24,25)26)9-17(13)15-7-18(21(32-2)28-10-15)22(31)11-33-12-22;1-13-17(15-6-18(21(32-3)28-9-15)23(31)11-33-12-23)8-16(10-27-13)29-20(30)14-4-5-26-19(7-14)22(2,24)25;1-12-16(14-5-17(20(32-2)29-8-14)21(23)10-33-11-21)7-15(9-28-12)30-19(31)13-3-4-27-18(6-13)22(24,25)26/h5-12,32H,14-15H2,1-4H3,(H,30,31);5-11H,13-14H2,1-4H3,(H,31,32);5-12,30-31H,13-14H2,1-4H3,(H,28,29);4-11,31H,12-13H2,1-3H3,(H,29,30);5-11,31H,12-13H2,1-4H3,(H,29,30);3-10,31H,11-12H2,1-2H3,(H,29,30);4-10,31H,11-12H2,1-3H3,(H,29,30);3-9H,10-11H2,1-2H3,(H,30,31).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
2-(2-cyanopropan-2-yl)-N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 3655.74 g/mol, XLogP of 30.28, 46 rotatable bonds, 15 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 158327145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).