5-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;[[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-dimethyl-λ4-sulfanyl]formonitrile

C161H181F3N24O23S4 — CID 157095397

About 5-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;[[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-dimethyl-λ4-sulfanyl]formonitrile

5-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;[[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-dimethyl-λ4-sulfanyl]formonitrile (PubChem CID 157095397) has the molecular formula C161H181F3N24O23S4 and a molecular weight of 3005.63 g/mol. Its IUPAC name is 5-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;[[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-dimethyl-λ4-sulfanyl]formonitrile.

Molecular Properties

• Compound Name: 5-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;[[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-dimethyl-λ4-sulfanyl]formonitrile
• PubChem CID: 157095397
• Molecular Formula: C161H181F3N24O23S4
• Molecular Weight: 3005.63 g/mol
• Exact Mass: 3003.26
• IUPAC Name: 5-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;[[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-dimethyl-λ4-sulfanyl]formonitrile
• SMILES: CCOc1cnc(C(F)(F)F)cc1C(=O)Nc1ccc(C)c(-c2cnc(OCC)c(N3CCOCC3)c2)c1.CCOc1ncc(-c2cc(C(=O)Cc3ccnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(C(=O)Cc3ccnc(S(C)(=O)=O)c3)ccc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(C(=O)Cc3ccnc(S(C)(C)C#N)c3)cnc2C)cc1N1CCOCC1.[H]N=S(C)(=O)c1cccc(C(=O)Nc2ccc(C)c(-c3cnc(OCC)c(N4CCOCC4)c3)c2)c1.[H]N=S(C)(=O)c1cccc(C(=O)Nc2ccc(C)c(-c3cnc(OCC)c(N4CCOCC4)c3)c2)c1
• InChI: InChI=1S/C29H32N4O3.C27H29F3N4O4.C27H31N5O3S.2C26H30N4O4S.C26H29N3O5S/c1-5-36-28-25(33-10-12-35-13-11-33)17-23(18-32-28)24-16-22(7-6-20(24)2)26(34)14-21-8-9-31-27(15-21)29(3,4)19-30;1-4-37-23-16-31-24(27(28,29)30)14-21(23)25(35)33-19-7-6-17(3)20(13-19)18-12-22(26(32-15-18)38-5-2)34-8-10-36-11-9-34;1-5-35-27-24(32-8-10-34-11-9-32)15-21(16-31-27)23-14-22(17-30-19(23)2)25(33)12-20-6-7-29-26(13-20)36(3,4)18-28;2*1-4-34-26-24(30-10-12-33-13-11-30)15-20(17-28-26)23-16-21(9-8-18(23)2)29-25(31)19-6-5-7-22(14-19)35(3,27)32;1-4-34-26-23(29-9-11-33-12-10-29)16-21(17-28-26)22-15-20(6-5-18(22)2)24(30)13-19-7-8-27-25(14-19)35(3,31)32/h6-9,15-18H,5,10-14H2,1-4H3;6-7,12-16H,4-5,8-11H2,1-3H3,(H,33,35);6-7,13-17H,5,8-12H2,1-4H3;2*5-9,14-17,27H,4,10-13H2,1-3H3,(H,29,31);5-8,14-17H,4,9-13H2,1-3H3
• InChIKey: AFDPMRPFXSCELP-UHFFFAOYSA-N
• XLogP: 27.36
• TPSA: 583.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 44
• Rotatable Bonds: 46
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3005.63
LogP ≤ 5	27.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;[[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-dimethyl-λ4-sulfanyl]formonitrile?

The IUPAC name of 5-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;[[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-dimethyl-λ4-sulfanyl]formonitrile (CID 157095397) is 5-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;[[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-dimethyl-λ4-sulfanyl]formonitrile.

What is the SMILES notation for 5-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;[[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-dimethyl-λ4-sulfanyl]formonitrile?

The canonical SMILES for 5-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;[[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-dimethyl-λ4-sulfanyl]formonitrile is CCOc1cnc(C(F)(F)F)cc1C(=O)Nc1ccc(C)c(-c2cnc(OCC)c(N3CCOCC3)c2)c1.CCOc1ncc(-c2cc(C(=O)Cc3ccnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(C(=O)Cc3ccnc(S(C)(=O)=O)c3)ccc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(C(=O)Cc3ccnc(S(C)(C)C#N)c3)cnc2C)cc1N1CCOCC1.[H]N=S(C)(=O)c1cccc(C(=O)Nc2ccc(C)c(-c3cnc(OCC)c(N4CCOCC4)c3)c2)c1.[H]N=S(C)(=O)c1cccc(C(=O)Nc2ccc(C)c(-c3cnc(OCC)c(N4CCOCC4)c3)c2)c1.

What is the InChIKey of 5-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;[[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-dimethyl-λ4-sulfanyl]formonitrile?

The InChIKey is AFDPMRPFXSCELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3.C27H29F3N4O4.C27H31N5O3S.2C26H30N4O4S.C26H29N3O5S/c1-5-36-28-25(33-10-12-35-13-11-33)17-23(18-32-28)24-16-22(7-6-20(24)2)26(34)14-21-8-9-31-27(15-21)29(3,4)19-30;1-4-37-23-16-31-24(27(28,29)30)14-21(23)25(35)33-19-7-6-17(3)20(13-19)18-12-22(26(32-15-18)38-5-2)34-8-10-36-11-9-34;1-5-35-27-24(32-8-10-34-11-9-32)15-21(16-31-27)23-14-22(17-30-19(23)2)25(33)12-20-6-7-29-26(13-20)36(3,4)18-28;2*1-4-34-26-24(30-10-12-33-13-11-30)15-20(17-28-26)23-16-21(9-8-18(23)2)29-25(31)19-6-5-7-22(14-19)35(3,27)32;1-4-34-26-23(29-9-11-33-12-10-29)16-21(17-28-26)22-15-20(6-5-18(22)2)24(30)13-19-7-8-27-25(14-19)35(3,31)32/h6-9,15-18H,5,10-14H2,1-4H3;6-7,12-16H,4-5,8-11H2,1-3H3,(H,33,35);6-7,13-17H,5,8-12H2,1-4H3;2*5-9,14-17,27H,4,10-13H2,1-3H3,(H,29,31);5-8,14-17H,4,9-13H2,1-3H3.

What are the key properties of 5-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;[[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-dimethyl-λ4-sulfanyl]formonitrile?

5-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;[[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-dimethyl-λ4-sulfanyl]formonitrile has a molecular weight of 3005.63 g/mol, XLogP of 27.36, 46 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;[[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-dimethyl-λ4-sulfanyl]formonitrile is sourced from PubChem (CID 157095397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).