N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C137H151F8N23O16 — CID 157194733

IUPACN-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCC(F)(F)c1cc(C(=O)Nc2ccc(C)c(-c3cc(NCCO)nc(C4CCOCC4)c3)c2)ccn1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1C1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)cnc2C)cc1C1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(C2CCOCC2)nc(N(CCO)CCO)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1
InChIInChI=1S/C31H37N5O4.C28H32F2N4O3.C28H31N5O3.C26H27F3N4O3.C24H24F3N5O3/c1-21-4-5-25(34-30(39)23-6-9-33-28(17-23)31(2,3)20-32)19-26(21)24-16-27(22-7-14-40-15-8-22)35-29(18-24)36(10-12-37)11-13-38;1-3-28(29,30)25-15-20(6-9-31-25)27(36)33-22-5-4-18(2)23(17-22)21-14-24(19-7-12-37-13-8-19)34-26(16-21)32-10-11-35;1-5-36-27-24(19-7-10-35-11-8-19)12-21(15-32-27)23-14-22(16-31-18(23)2)33-26(34)20-6-9-30-25(13-20)28(3,4)17-29;1-16-2-3-20(32-25(35)18-4-7-30-23(13-18)26(27,28)29)15-21(16)19-12-22(17-5-10-36-11-6-17)33-24(14-19)31-8-9-34;1-3-35-23-20(15-4-6-34-7-5-15)8-16(11-29-23)19-10-18(13-28-14(19)2)31-22(33)17-9-21(24(25,26)27)32-30-12-17/h4-6,9,16-19,22,37-38H,7-8,10-15H2,1-3H3,(H,34,39);4-6,9,14-17,19,35H,3,7-8,10-13H2,1-2H3,(H,32,34)(H,33,36);6,9,12-16,19H,5,7-8,10-11H2,1-4H3,(H,33,34);2-4,7,12-15,17,34H,5-6,8-11H2,1H3,(H,31,33)(H,32,35);8-13,15H,3-7H2,1-2H3,(H,31,33)
InChIKeyAQCOLOFRJFHFOT-UHFFFAOYSA-N
MW2527.84 g/mol
LogP24.72
Rot. Bonds39

About N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 157194733) has the molecular formula C137H151F8N23O16 and a molecular weight of 2527.84 g/mol. Its IUPAC name is N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID157194733
Molecular FormulaC137H151F8N23O16
Molecular Weight2527.84 g/mol
Exact Mass2526.16
IUPAC NameN-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCC(F)(F)c1cc(C(=O)Nc2ccc(C)c(-c3cc(NCCO)nc(C4CCOCC4)c3)c2)ccn1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1C1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)cnc2C)cc1C1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(C2CCOCC2)nc(N(CCO)CCO)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1
InChIInChI=1S/C31H37N5O4.C28H32F2N4O3.C28H31N5O3.C26H27F3N4O3.C24H24F3N5O3/c1-21-4-5-25(34-30(39)23-6-9-33-28(17-23)31(2,3)20-32)19-26(21)24-16-27(22-7-14-40-15-8-22)35-29(18-24)36(10-12-37)11-13-38;1-3-28(29,30)25-15-20(6-9-31-25)27(36)33-22-5-4-18(2)23(17-22)21-14-24(19-7-12-37-13-8-19)34-26(16-21)32-10-11-35;1-5-36-27-24(19-7-10-35-11-8-19)12-21(15-32-27)23-14-22(16-31-18(23)2)33-26(34)20-6-9-30-25(13-20)28(3,4)17-29;1-16-2-3-20(32-25(35)18-4-7-30-23(13-18)26(27,28)29)15-21(16)19-12-22(17-5-10-36-11-6-17)33-24(14-19)31-8-9-34;1-3-35-23-20(15-4-6-34-7-5-15)8-16(11-29-23)19-10-18(13-28-14(19)2)31-22(33)17-9-21(24(25,26)27)32-30-12-17/h4-6,9,16-19,22,37-38H,7-8,10-15H2,1-3H3,(H,34,39);4-6,9,14-17,19,35H,3,7-8,10-13H2,1-2H3,(H,32,34)(H,33,36);6,9,12-16,19H,5,7-8,10-11H2,1-4H3,(H,33,34);2-4,7,12-15,17,34H,5-6,8-11H2,1H3,(H,31,33)(H,32,35);8-13,15H,3-7H2,1-2H3,(H,31,33)
InChIKeyAQCOLOFRJFHFOT-UHFFFAOYSA-N
XLogP24.72
TPSA533.48 Ų
H-Bond Donors11
H-Bond Acceptors34
Rotatable Bonds39
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002527.84
LogP ≤ 524.72
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1034

Analyze N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

US10167279, Example 241
CID 134609530
6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide
CID 90463089
2-(2-cyanopropan-2-yl)-N-[3-[5-[(3R)-2-[2-[6-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-[(3R)-3-methyl-2-[2-[4-[(3R)-3-methylmorpholin-4-yl]-6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridazin-3-yl]oxyethyl]morpholin-4-yl]pyridazin-3-yl]oxyethyl]-3-methylmorpholin-4-yl]-6-ethoxypyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425581
6-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[2-[2-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-4-morpholin-4-ylpyridazin-3-yl]oxyethyl]morpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridazine-4-carboxamide
CID 130425658
6-(2-cyanopropan-2-yl)-N-[3-[4-[[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-3-[4-[[4-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]oxan-2-yl]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]oxan-2-yl]-4-methyl-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide
CID 130425662
2-(2-cyanopropan-2-yl)-N-[3-[6-[1-[4-[6-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(2-methoxyethoxy)pyridazin-4-yl]morpholin-2-yl]propan-2-yloxy]-5-[2-[2-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-4-morpholin-4-ylpyridazin-3-yl]oxypropyl]morpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425721
6-(2-cyanopropan-2-yl)-N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3,5-difluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
CID 157072500
2-(1-cyanocyclopropyl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridazine-4-carboxamide;2-cyclopropyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157274240
N-[3-(6-amino-5-cyano-2-methyl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-(5-cyano-6-methyl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;sulfur dioxide
CID 157314001
2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]pyridine-4-carboxamide;N-ethyl-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-methyl-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-N-propyl-3-(trifluoromethyl)benzamide
CID 157325132
5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157421639
4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-2-carboxamide;N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-ylpyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-ylpyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide;N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-ylpyridazin-3-yl]-6-methyl-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 157584913

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 157194733) is N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CCC(F)(F)c1cc(C(=O)Nc2ccc(C)c(-c3cc(NCCO)nc(C4CCOCC4)c3)c2)ccn1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1C1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)cnc2C)cc1C1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(C2CCOCC2)nc(N(CCO)CCO)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1.
What is the InChIKey of N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is AQCOLOFRJFHFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O4.C28H32F2N4O3.C28H31N5O3.C26H27F3N4O3.C24H24F3N5O3/c1-21-4-5-25(34-30(39)23-6-9-33-28(17-23)31(2,3)20-32)19-26(21)24-16-27(22-7-14-40-15-8-22)35-29(18-24)36(10-12-37)11-13-38;1-3-28(29,30)25-15-20(6-9-31-25)27(36)33-22-5-4-18(2)23(17-22)21-14-24(19-7-12-37-13-8-19)34-26(16-21)32-10-11-35;1-5-36-27-24(19-7-10-35-11-8-19)12-21(15-32-27)23-14-22(16-31-18(23)2)33-26(34)20-6-9-30-25(13-20)28(3,4)17-29;1-16-2-3-20(32-25(35)18-4-7-30-23(13-18)26(27,28)29)15-21(16)19-12-22(17-5-10-36-11-6-17)33-24(14-19)31-8-9-34;1-3-35-23-20(15-4-6-34-7-5-15)8-16(11-29-23)19-10-18(13-28-14(19)2)31-22(33)17-9-21(24(25,26)27)32-30-12-17/h4-6,9,16-19,22,37-38H,7-8,10-15H2,1-3H3,(H,34,39);4-6,9,14-17,19,35H,3,7-8,10-13H2,1-2H3,(H,32,34)(H,33,36);6,9,12-16,19H,5,7-8,10-11H2,1-4H3,(H,33,34);2-4,7,12-15,17,34H,5-6,8-11H2,1H3,(H,31,33)(H,32,35);8-13,15H,3-7H2,1-2H3,(H,31,33).
What are the key properties of N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 2527.84 g/mol, XLogP of 24.72, 39 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 157194733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).