2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C138H147F12N17O24 — CID 159330303

IUPAC2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(OCCO)nc(C2(CO)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CO)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CO)CCOCC2)c1.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CO)CCOCC2)c1
InChIInChI=1S/C30H34N4O5.C28H31F2N3O5.C27H27F4N3O4.C27H28F3N3O5.C26H27F3N4O5/c1-20-4-5-23(33-28(37)21-6-9-32-25(14-21)29(2,3)18-31)17-24(20)22-15-26(34-27(16-22)39-13-10-35)30(19-36)7-11-38-12-8-30;1-18-3-4-21(32-26(36)19-5-8-31-23(13-19)27(2,29)30)16-22(18)20-14-24(33-25(15-20)38-12-9-34)28(17-35)6-10-37-11-7-28;1-17-2-3-20(33-25(36)22-14-19(4-7-32-22)27(29,30)31)15-21(17)18-12-23(34-24(13-18)38-11-8-35)26(16-28)5-9-37-10-6-26;1-17-2-3-20(32-25(36)18-4-7-31-23(12-18)27(28,29)30)15-21(17)19-13-22(33-24(14-19)38-11-8-34)26(16-35)5-9-37-10-6-26;1-16-2-3-19(31-24(36)18-11-22(26(27,28)29)33-30-14-18)13-20(16)17-10-21(32-23(12-17)38-9-6-34)25(15-35)4-7-37-8-5-25/h4-6,9,14-17,35-36H,7-8,10-13,19H2,1-3H3,(H,33,37);3-5,8,13-16,34-35H,6-7,9-12,17H2,1-2H3,(H,32,36);2-4,7,12-15,35H,5-6,8-11,16H2,1H3,(H,33,36);2-4,7,12-15,34-35H,5-6,8-11,16H2,1H3,(H,32,36);2-3,10-14,34-35H,4-9,15H2,1H3,(H,31,36)
InChIKeyLEWUESLEMGSFLY-UHFFFAOYSA-N
MW2655.76 g/mol
LogP20.92
Rot. Bonds42

About 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 159330303) has the molecular formula C138H147F12N17O24 and a molecular weight of 2655.76 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID159330303
Molecular FormulaC138H147F12N17O24
Molecular Weight2655.76 g/mol
Exact Mass2654.06
IUPAC Name2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(OCCO)nc(C2(CO)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CO)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CO)CCOCC2)c1.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CO)CCOCC2)c1
InChIInChI=1S/C30H34N4O5.C28H31F2N3O5.C27H27F4N3O4.C27H28F3N3O5.C26H27F3N4O5/c1-20-4-5-23(33-28(37)21-6-9-32-25(14-21)29(2,3)18-31)17-24(20)22-15-26(34-27(16-22)39-13-10-35)30(19-36)7-11-38-12-8-30;1-18-3-4-21(32-26(36)19-5-8-31-23(13-19)27(2,29)30)16-22(18)20-14-24(33-25(15-20)38-12-9-34)28(17-35)6-10-37-11-7-28;1-17-2-3-20(33-25(36)22-14-19(4-7-32-22)27(29,30)31)15-21(17)18-12-23(34-24(13-18)38-11-8-35)26(16-28)5-9-37-10-6-26;1-17-2-3-20(32-25(36)18-4-7-31-23(12-18)27(28,29)30)15-21(17)19-13-22(33-24(14-19)38-11-8-34)26(16-35)5-9-37-10-6-26;1-16-2-3-19(31-24(36)18-11-22(26(27,28)29)33-30-14-18)13-20(16)17-10-21(32-23(12-17)38-9-6-34)25(15-35)4-7-37-8-5-25/h4-6,9,14-17,35-36H,7-8,10-13,19H2,1-3H3,(H,33,37);3-5,8,13-16,34-35H,6-7,9-12,17H2,1-2H3,(H,32,36);2-4,7,12-15,35H,5-6,8-11,16H2,1H3,(H,33,36);2-4,7,12-15,34-35H,5-6,8-11,16H2,1H3,(H,32,36);2-3,10-14,34-35H,4-9,15H2,1H3,(H,31,36)
InChIKeyLEWUESLEMGSFLY-UHFFFAOYSA-N
XLogP20.92
TPSA585.45 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds42
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002655.76
LogP ≤ 520.92
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Analyze 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Related Compounds

US10167279, Example 207
CID 134609559
US10167279, Example 212
CID 134609569
US10167279, Example 217
CID 135133443
US10167279, Example 245
CID 135133628
2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-[2-[[4-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]oxy]piperidin-1-yl]methyl]morpholin-4-yl]-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425624
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
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
N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 130425793
N-[3-[6-[2-[4-[3-ethoxy-6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]oxan-2-yl]ethoxy]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 135139136
2-(2-cyanopropan-2-yl)-N-[4-[2-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-(4-methyloxan-4-yl)pyridin-2-yl]oxyethoxymethyl]-3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)pyridin-4-yl]phenyl]pyridine-4-carboxamide
CID 138615513
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 159330303) is 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(OCCO)nc(C2(CO)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CO)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CO)CCOCC2)c1.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CO)CCOCC2)c1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is LEWUESLEMGSFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O5.C28H31F2N3O5.C27H27F4N3O4.C27H28F3N3O5.C26H27F3N4O5/c1-20-4-5-23(33-28(37)21-6-9-32-25(14-21)29(2,3)18-31)17-24(20)22-15-26(34-27(16-22)39-13-10-35)30(19-36)7-11-38-12-8-30;1-18-3-4-21(32-26(36)19-5-8-31-23(13-19)27(2,29)30)16-22(18)20-14-24(33-25(15-20)38-12-9-34)28(17-35)6-10-37-11-7-28;1-17-2-3-20(33-25(36)22-14-19(4-7-32-22)27(29,30)31)15-21(17)18-12-23(34-24(13-18)38-11-8-35)26(16-28)5-9-37-10-6-26;1-17-2-3-20(32-25(36)18-4-7-31-23(12-18)27(28,29)30)15-21(17)19-13-22(33-24(14-19)38-11-8-34)26(16-35)5-9-37-10-6-26;1-16-2-3-19(31-24(36)18-11-22(26(27,28)29)33-30-14-18)13-20(16)17-10-21(32-23(12-17)38-9-6-34)25(15-35)4-7-37-8-5-25/h4-6,9,14-17,35-36H,7-8,10-13,19H2,1-3H3,(H,33,37);3-5,8,13-16,34-35H,6-7,9-12,17H2,1-2H3,(H,32,36);2-4,7,12-15,35H,5-6,8-11,16H2,1H3,(H,33,36);2-4,7,12-15,34-35H,5-6,8-11,16H2,1H3,(H,32,36);2-3,10-14,34-35H,4-9,15H2,1H3,(H,31,36).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 2655.76 g/mol, XLogP of 20.92, 42 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-[4-(hydroxymethyl)oxan-4-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 159330303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).