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

C177H194F13N39O21 — CID 159116679

IUPAC2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;3-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C27H31N7O3.C26H29F2N5O3.C26H28F2N4O3.C25H28F2N6O3.C25H27F2N5O3.C24H25F3N6O3.C24H26F2N6O3/c1-18-22(20-13-24(30-6-9-35)33-25(14-20)34-7-10-37-11-8-34)15-21(16-31-18)32-26(36)19-4-5-29-23(12-19)27(2,3)17-28;1-17-3-4-20(31-25(35)18-5-6-29-22(13-18)26(2,27)28)16-21(17)19-14-23(30-7-10-34)32-24(15-19)33-8-11-36-12-9-33;1-17-5-6-21(30-26(34)19-4-2-3-18(13-19)25(27)28)16-22(17)20-14-23(29-7-10-33)31-24(15-20)32-8-11-35-12-9-32;1-16-20(18-12-22(29-5-8-34)32-23(13-18)33-6-9-36-10-7-33)14-19(15-30-16)31-24(35)17-3-4-28-21(11-17)25(2,26)27;1-16-21(14-20(15-29-16)30-25(34)18-4-2-3-17(11-18)24(26)27)19-12-22(28-5-8-33)31-23(13-19)32-6-9-35-10-7-32;1-15-19(17-11-21(29-4-7-34)32-22(12-17)33-5-8-36-9-6-33)13-18(14-30-15)31-23(35)16-2-3-28-20(10-16)24(25,26)27;1-15-19(13-18(14-29-15)30-24(34)16-2-3-27-20(10-16)23(25)26)17-11-21(28-4-7-33)31-22(12-17)32-5-8-35-9-6-32/h4-5,12-16,35H,6-11H2,1-3H3,(H,30,33)(H,32,36);3-6,13-16,34H,7-12H2,1-2H3,(H,30,32)(H,31,35);2-6,13-16,25,33H,7-12H2,1H3,(H,29,31)(H,30,34);3-4,11-15,34H,5-10H2,1-2H3,(H,29,32)(H,31,35);2-4,11-15,24,33H,5-10H2,1H3,(H,28,31)(H,30,34);2-3,10-14,34H,4-9H2,1H3,(H,29,32)(H,31,35);2-3,10-14,23,33H,4-9H2,1H3,(H,28,31)(H,30,34)
InChIKeyKFEHIOFSNYCYCY-UHFFFAOYSA-N
MW3450.72 g/mol
LogP25.66
Rot. Bonds55

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

2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;3-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 159116679) has the molecular formula C177H194F13N39O21 and a molecular weight of 3450.72 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;3-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;3-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID159116679
Molecular FormulaC177H194F13N39O21
Molecular Weight3450.72 g/mol
Exact Mass3448.51
IUPAC Name2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;3-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C27H31N7O3.C26H29F2N5O3.C26H28F2N4O3.C25H28F2N6O3.C25H27F2N5O3.C24H25F3N6O3.C24H26F2N6O3/c1-18-22(20-13-24(30-6-9-35)33-25(14-20)34-7-10-37-11-8-34)15-21(16-31-18)32-26(36)19-4-5-29-23(12-19)27(2,3)17-28;1-17-3-4-20(31-25(35)18-5-6-29-22(13-18)26(2,27)28)16-21(17)19-14-23(30-7-10-34)32-24(15-19)33-8-11-36-12-9-33;1-17-5-6-21(30-26(34)19-4-2-3-18(13-19)25(27)28)16-22(17)20-14-23(29-7-10-33)31-24(15-20)32-8-11-35-12-9-32;1-16-20(18-12-22(29-5-8-34)32-23(13-18)33-6-9-36-10-7-33)14-19(15-30-16)31-24(35)17-3-4-28-21(11-17)25(2,26)27;1-16-21(14-20(15-29-16)30-25(34)18-4-2-3-17(11-18)24(26)27)19-12-22(28-5-8-33)31-23(13-19)32-6-9-35-10-7-32;1-15-19(17-11-21(29-4-7-34)32-22(12-17)33-5-8-36-9-6-33)13-18(14-30-15)31-23(35)16-2-3-28-20(10-16)24(25,26)27;1-15-19(13-18(14-29-15)30-24(34)16-2-3-27-20(10-16)23(25)26)17-11-21(28-4-7-33)31-22(12-17)32-5-8-35-9-6-32/h4-5,12-16,35H,6-11H2,1-3H3,(H,30,33)(H,32,36);3-6,13-16,34H,7-12H2,1-2H3,(H,30,32)(H,31,35);2-6,13-16,25,33H,7-12H2,1H3,(H,29,31)(H,30,34);3-4,11-15,34H,5-10H2,1-2H3,(H,29,32)(H,31,35);2-4,11-15,24,33H,5-10H2,1H3,(H,28,31)(H,30,34);2-3,10-14,34H,4-9H2,1H3,(H,29,32)(H,31,35);2-3,10-14,23,33H,4-9H2,1H3,(H,28,31)(H,30,34)
InChIKeyKFEHIOFSNYCYCY-UHFFFAOYSA-N
XLogP25.66
TPSA759.73 Ų
H-Bond Donors21
H-Bond Acceptors53
Rotatable Bonds55
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003450.72
LogP ≤ 525.66
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1053

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

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Launch Full Analysis

Related Compounds

5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 44571966
3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]-5-(trifluoromethyl)benzamide
CID 90408857
N-[4-methyl-3-(6-morpholin-4-ylpyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 90409447
2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 117609672
N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-ylpyridin-4-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 117609720
N-[5-[6-[2-hydroxyethyl(methyl)amino]-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609803
3-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]benzamide
CID 117609995
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]phenyl]-5-(4-methylpiperazin-1-yl)benzamide
CID 89972867
3-(2-cyanopropan-2-yl)-5-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]phenyl]benzamide
CID 89972879
2-(1-cyanocyclopropyl)-N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 90463499
3-(4-ethylpiperazin-1-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]-5-(trifluoromethyl)benzamide
CID 117609709
N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-ylpyridin-4-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609842

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;3-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;3-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 159116679) is 2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;3-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;3-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;3-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;3-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is KFEHIOFSNYCYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O3.C26H29F2N5O3.C26H28F2N4O3.C25H28F2N6O3.C25H27F2N5O3.C24H25F3N6O3.C24H26F2N6O3/c1-18-22(20-13-24(30-6-9-35)33-25(14-20)34-7-10-37-11-8-34)15-21(16-31-18)32-26(36)19-4-5-29-23(12-19)27(2,3)17-28;1-17-3-4-20(31-25(35)18-5-6-29-22(13-18)26(2,27)28)16-21(17)19-14-23(30-7-10-34)32-24(15-19)33-8-11-36-12-9-33;1-17-5-6-21(30-26(34)19-4-2-3-18(13-19)25(27)28)16-22(17)20-14-23(29-7-10-33)31-24(15-20)32-8-11-35-12-9-32;1-16-20(18-12-22(29-5-8-34)32-23(13-18)33-6-9-36-10-7-33)14-19(15-30-16)31-24(35)17-3-4-28-21(11-17)25(2,26)27;1-16-21(14-20(15-29-16)30-25(34)18-4-2-3-17(11-18)24(26)27)19-12-22(28-5-8-33)31-23(13-19)32-6-9-35-10-7-32;1-15-19(17-11-21(29-4-7-34)32-22(12-17)33-5-8-36-9-6-33)13-18(14-30-15)31-23(35)16-2-3-28-20(10-16)24(25,26)27;1-15-19(13-18(14-29-15)30-24(34)16-2-3-27-20(10-16)23(25)26)17-11-21(28-4-7-33)31-22(12-17)32-5-8-35-9-6-32/h4-5,12-16,35H,6-11H2,1-3H3,(H,30,33)(H,32,36);3-6,13-16,34H,7-12H2,1-2H3,(H,30,32)(H,31,35);2-6,13-16,25,33H,7-12H2,1H3,(H,29,31)(H,30,34);3-4,11-15,34H,5-10H2,1-2H3,(H,29,32)(H,31,35);2-4,11-15,24,33H,5-10H2,1H3,(H,28,31)(H,30,34);2-3,10-14,34H,4-9H2,1H3,(H,29,32)(H,31,35);2-3,10-14,23,33H,4-9H2,1H3,(H,28,31)(H,30,34).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;3-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;3-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 3450.72 g/mol, XLogP of 25.66, 55 rotatable bonds, 21 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;3-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 159116679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).