2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C126H136F4N22O11S — CID 159459986

About 2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 159459986) has the molecular formula C126H136F4N22O11S and a molecular weight of 2242.68 g/mol. Its IUPAC name is 2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

• Compound Name: 2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
• PubChem CID: 159459986
• Molecular Formula: C126H136F4N22O11S
• Molecular Weight: 2242.68 g/mol
• Exact Mass: 2241.04
• IUPAC Name: 2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
• SMILES: C=C(C(=O)N(C)C)C1=CCc2ccc(Nc3cc(Nc4ccccc4C(=O)NC)c(C)cn3)cc21.C=C1Cc2ccc(Nc3cc(NCc4cccnc4N(C)S(C)(=O)=O)c(C)cn3)cc2O1.CCC(=O)c1cccc(Nc2cc(Nc3ccc(N4CCCCC4)cc3OC)ncc2C)c1.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(CC(C)=O)cc2)ncc1C(F)(F)F.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ccc(F)cc2OC)c(C)cn1
• InChI: InChI=1S/C28H29N5O2.C27H32N4O2.C25H29FN4O2.C23H21F3N4O2.C23H25N5O3S/c1-17-16-30-26(15-25(17)32-24-9-7-6-8-22(24)27(34)29-3)31-20-12-10-19-11-13-21(23(19)14-20)18(2)28(35)33(4)5;1-4-25(32)20-9-8-10-21(15-20)29-24-17-27(28-18-19(24)2)30-23-12-11-22(16-26(23)33-3)31-13-6-5-7-14-31;1-17-16-27-25(15-22(17)28-20-9-7-18(26)13-23(20)31-2)29-21-10-8-19(14-24(21)32-3)30-11-5-4-6-12-30;1-14(31)11-15-7-9-16(10-8-15)29-21-12-20(18(13-28-21)23(24,25)26)30-19-6-4-3-5-17(19)22(32)27-2;1-15-13-26-22(27-19-8-7-17-10-16(2)31-21(17)11-19)12-20(15)25-14-18-6-5-9-24-23(18)28(3)32(4,29)30/h6-10,12-16H,2,11H2,1,3-5H3,(H,29,34)(H2,30,31,32);8-12,15-18H,4-7,13-14H2,1-3H3,(H2,28,29,30);7-10,13-16H,4-6,11-12H2,1-3H3,(H2,27,28,29);3-10,12-13H,11H2,1-2H3,(H,27,32)(H2,28,29,30);5-9,11-13H,2,10,14H2,1,3-4H3,(H2,25,26,27)
• InChIKey: LULWFQMUXFLFOC-UHFFFAOYSA-N
• XLogP: 26.38
• TPSA: 391.07 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2242.68
LogP ≤ 5	26.38
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

The IUPAC name of 2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 159459986) is 2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

What is the SMILES notation for 2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

The canonical SMILES for 2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is C=C(C(=O)N(C)C)C1=CCc2ccc(Nc3cc(Nc4ccccc4C(=O)NC)c(C)cn3)cc21.C=C1Cc2ccc(Nc3cc(NCc4cccnc4N(C)S(C)(=O)=O)c(C)cn3)cc2O1.CCC(=O)c1cccc(Nc2cc(Nc3ccc(N4CCCCC4)cc3OC)ncc2C)c1.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(CC(C)=O)cc2)ncc1C(F)(F)F.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ccc(F)cc2OC)c(C)cn1.

What is the InChIKey of 2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

The InChIKey is LULWFQMUXFLFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2.C27H32N4O2.C25H29FN4O2.C23H21F3N4O2.C23H25N5O3S/c1-17-16-30-26(15-25(17)32-24-9-7-6-8-22(24)27(34)29-3)31-20-12-10-19-11-13-21(23(19)14-20)18(2)28(35)33(4)5;1-4-25(32)20-9-8-10-21(15-20)29-24-17-27(28-18-19(24)2)30-23-12-11-22(16-26(23)33-3)31-13-6-5-7-14-31;1-17-16-27-25(15-22(17)28-20-9-7-18(26)13-23(20)31-2)29-21-10-8-19(14-24(21)32-3)30-11-5-4-6-12-30;1-14(31)11-15-7-9-16(10-8-15)29-21-12-20(18(13-28-21)23(24,25)26)30-19-6-4-3-5-17(19)22(32)27-2;1-15-13-26-22(27-19-8-7-17-10-16(2)31-21(17)11-19)12-20(15)25-14-18-6-5-9-24-23(18)28(3)32(4,29)30/h6-10,12-16H,2,11H2,1,3-5H3,(H,29,34)(H2,30,31,32);8-12,15-18H,4-7,13-14H2,1-3H3,(H2,28,29,30);7-10,13-16H,4-6,11-12H2,1-3H3,(H2,27,28,29);3-10,12-13H,11H2,1-2H3,(H,27,32)(H2,28,29,30);5-9,11-13H,2,10,14H2,1,3-4H3,(H2,25,26,27).

What are the key properties of 2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?

2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 2242.68 g/mol, XLogP of 26.38, 36 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 159459986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).