5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(E)-3-(2H-pyrrol-4-yl)prop-2-enyl]pyridine-3-carboxamide;3-[2-(4-chlorophenyl)ethynyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]benzamide;5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;6-(3,5-dimethylpiperidin-1-yl)-5-[2-(4-fluorophenyl)ethynyl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)ethynyl]-6-(3-methylpiperazin-1-yl)-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide

C136H145Cl3F2N20O8 — CID 158440463

About 5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(E)-3-(2H-pyrrol-4-yl)prop-2-enyl]pyridine-3-carboxamide;3-[2-(4-chlorophenyl)ethynyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]benzamide;5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;6-(3,5-dimethylpiperidin-1-yl)-5-[2-(4-fluorophenyl)ethynyl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)ethynyl]-6-(3-methylpiperazin-1-yl)-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide

5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(E)-3-(2H-pyrrol-4-yl)prop-2-enyl]pyridine-3-carboxamide;3-[2-(4-chlorophenyl)ethynyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]benzamide;5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;6-(3,5-dimethylpiperidin-1-yl)-5-[2-(4-fluorophenyl)ethynyl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)ethynyl]-6-(3-methylpiperazin-1-yl)-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide (PubChem CID 158440463) has the molecular formula C136H145Cl3F2N20O8 and a molecular weight of 2332.14 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(E)-3-(2H-pyrrol-4-yl)prop-2-enyl]pyridine-3-carboxamide;3-[2-(4-chlorophenyl)ethynyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]benzamide;5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;6-(3,5-dimethylpiperidin-1-yl)-5-[2-(4-fluorophenyl)ethynyl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)ethynyl]-6-(3-methylpiperazin-1-yl)-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(E)-3-(2H-pyrrol-4-yl)prop-2-enyl]pyridine-3-carboxamide;3-[2-(4-chlorophenyl)ethynyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]benzamide;5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;6-(3,5-dimethylpiperidin-1-yl)-5-[2-(4-fluorophenyl)ethynyl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)ethynyl]-6-(3-methylpiperazin-1-yl)-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide
• PubChem CID: 158440463
• Molecular Formula: C136H145Cl3F2N20O8
• Molecular Weight: 2332.14 g/mol
• Exact Mass: 2329.06
• IUPAC Name: 5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(E)-3-(2H-pyrrol-4-yl)prop-2-enyl]pyridine-3-carboxamide;3-[2-(4-chlorophenyl)ethynyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]benzamide;5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;6-(3,5-dimethylpiperidin-1-yl)-5-[2-(4-fluorophenyl)ethynyl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)ethynyl]-6-(3-methylpiperazin-1-yl)-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide
• SMILES: CC1CC(C)CN(c2ncc(C(=O)NCCCC3=CCN=C3)cc2C#Cc2ccc(F)cc2)C1.CC1CN(c2ncc(C(=O)NCCCC3=CCN=C3)cc2C#Cc2ccc(F)cc2)CCN1.C[C@@H]1CN(c2ccc(C(=O)NCCCC3=CCN=C3)cc2C#Cc2ccc(Cl)cc2)C[C@H](C)O1.C[C@@H]1CN(c2ncc(C(=O)NC/C=C/C3=CCN=C3)cc2C#Cc2ccc(Cl)cc2)C[C@H](C)O1.C[C@@H]1CN(c2ncc(C(=O)NCCCC3=CCN=C3)cc2C#Cc2ccc(Cl)cc2)C[C@H](C)O1
• InChI: InChI=1S/C28H30ClN3O2.C28H31FN4O.C27H29ClN4O2.C27H27ClN4O2.C26H28FN5O/c1-20-18-32(19-21(2)34-20)27-12-9-25(28(33)31-14-3-4-23-13-15-30-17-23)16-24(27)8-5-22-6-10-26(29)11-7-22;1-20-14-21(2)19-33(18-20)27-24(8-5-22-6-9-26(29)10-7-22)15-25(17-32-27)28(34)31-12-3-4-23-11-13-30-16-23;2*1-19-17-32(18-20(2)34-19)26-23(8-5-21-6-9-25(28)10-7-21)14-24(16-31-26)27(33)30-12-3-4-22-11-13-29-15-22;1-19-18-32(14-13-29-19)25-22(7-4-20-5-8-24(27)9-6-20)15-23(17-31-25)26(33)30-11-2-3-21-10-12-28-16-21/h6-7,9-13,16-17,20-21H,3-4,14-15,18-19H2,1-2H3,(H,31,33);6-7,9-11,15-17,20-21H,3-4,12-14,18-19H2,1-2H3,(H,31,34);6-7,9-11,14-16,19-20H,3-4,12-13,17-18H2,1-2H3,(H,30,33);3-4,6-7,9-11,14-16,19-20H,12-13,17-18H2,1-2H3,(H,30,33);5-6,8-10,15-17,19,29H,2-3,11-14,18H2,1H3,(H,30,33)/b;;;4-3+;/t20-,21+;;2*19-,20+
• InChIKey: HCTFRCLBRPKMCQ-IBIGQDSRSA-N
• XLogP: 20.75
• TPSA: 314.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 29
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2332.14
LogP ≤ 5	20.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(E)-3-(2H-pyrrol-4-yl)prop-2-enyl]pyridine-3-carboxamide;3-[2-(4-chlorophenyl)ethynyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]benzamide;5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;6-(3,5-dimethylpiperidin-1-yl)-5-[2-(4-fluorophenyl)ethynyl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)ethynyl]-6-(3-methylpiperazin-1-yl)-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide?

The IUPAC name of 5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(E)-3-(2H-pyrrol-4-yl)prop-2-enyl]pyridine-3-carboxamide;3-[2-(4-chlorophenyl)ethynyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]benzamide;5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;6-(3,5-dimethylpiperidin-1-yl)-5-[2-(4-fluorophenyl)ethynyl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)ethynyl]-6-(3-methylpiperazin-1-yl)-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide (CID 158440463) is 5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(E)-3-(2H-pyrrol-4-yl)prop-2-enyl]pyridine-3-carboxamide;3-[2-(4-chlorophenyl)ethynyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]benzamide;5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;6-(3,5-dimethylpiperidin-1-yl)-5-[2-(4-fluorophenyl)ethynyl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)ethynyl]-6-(3-methylpiperazin-1-yl)-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(E)-3-(2H-pyrrol-4-yl)prop-2-enyl]pyridine-3-carboxamide;3-[2-(4-chlorophenyl)ethynyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]benzamide;5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;6-(3,5-dimethylpiperidin-1-yl)-5-[2-(4-fluorophenyl)ethynyl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)ethynyl]-6-(3-methylpiperazin-1-yl)-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide?

The canonical SMILES for 5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(E)-3-(2H-pyrrol-4-yl)prop-2-enyl]pyridine-3-carboxamide;3-[2-(4-chlorophenyl)ethynyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]benzamide;5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;6-(3,5-dimethylpiperidin-1-yl)-5-[2-(4-fluorophenyl)ethynyl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)ethynyl]-6-(3-methylpiperazin-1-yl)-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide is CC1CC(C)CN(c2ncc(C(=O)NCCCC3=CCN=C3)cc2C#Cc2ccc(F)cc2)C1.CC1CN(c2ncc(C(=O)NCCCC3=CCN=C3)cc2C#Cc2ccc(F)cc2)CCN1.C[C@@H]1CN(c2ccc(C(=O)NCCCC3=CCN=C3)cc2C#Cc2ccc(Cl)cc2)C[C@H](C)O1.C[C@@H]1CN(c2ncc(C(=O)NC/C=C/C3=CCN=C3)cc2C#Cc2ccc(Cl)cc2)C[C@H](C)O1.C[C@@H]1CN(c2ncc(C(=O)NCCCC3=CCN=C3)cc2C#Cc2ccc(Cl)cc2)C[C@H](C)O1.

What is the InChIKey of 5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(E)-3-(2H-pyrrol-4-yl)prop-2-enyl]pyridine-3-carboxamide;3-[2-(4-chlorophenyl)ethynyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]benzamide;5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;6-(3,5-dimethylpiperidin-1-yl)-5-[2-(4-fluorophenyl)ethynyl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)ethynyl]-6-(3-methylpiperazin-1-yl)-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide?

The InChIKey is HCTFRCLBRPKMCQ-IBIGQDSRSA-N. The full InChI is InChI=1S/C28H30ClN3O2.C28H31FN4O.C27H29ClN4O2.C27H27ClN4O2.C26H28FN5O/c1-20-18-32(19-21(2)34-20)27-12-9-25(28(33)31-14-3-4-23-13-15-30-17-23)16-24(27)8-5-22-6-10-26(29)11-7-22;1-20-14-21(2)19-33(18-20)27-24(8-5-22-6-9-26(29)10-7-22)15-25(17-32-27)28(34)31-12-3-4-23-11-13-30-16-23;2*1-19-17-32(18-20(2)34-19)26-23(8-5-21-6-9-25(28)10-7-21)14-24(16-31-26)27(33)30-12-3-4-22-11-13-29-15-22;1-19-18-32(14-13-29-19)25-22(7-4-20-5-8-24(27)9-6-20)15-23(17-31-25)26(33)30-11-2-3-21-10-12-28-16-21/h6-7,9-13,16-17,20-21H,3-4,14-15,18-19H2,1-2H3,(H,31,33);6-7,9-11,15-17,20-21H,3-4,12-14,18-19H2,1-2H3,(H,31,34);6-7,9-11,14-16,19-20H,3-4,12-13,17-18H2,1-2H3,(H,30,33);3-4,6-7,9-11,14-16,19-20H,12-13,17-18H2,1-2H3,(H,30,33);5-6,8-10,15-17,19,29H,2-3,11-14,18H2,1H3,(H,30,33)/b;;;4-3+;/t20-,21+;;2*19-,20+;.

What are the key properties of 5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(E)-3-(2H-pyrrol-4-yl)prop-2-enyl]pyridine-3-carboxamide;3-[2-(4-chlorophenyl)ethynyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]benzamide;5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;6-(3,5-dimethylpiperidin-1-yl)-5-[2-(4-fluorophenyl)ethynyl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)ethynyl]-6-(3-methylpiperazin-1-yl)-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide?

5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(E)-3-(2H-pyrrol-4-yl)prop-2-enyl]pyridine-3-carboxamide;3-[2-(4-chlorophenyl)ethynyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]benzamide;5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;6-(3,5-dimethylpiperidin-1-yl)-5-[2-(4-fluorophenyl)ethynyl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)ethynyl]-6-(3-methylpiperazin-1-yl)-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide has a molecular weight of 2332.14 g/mol, XLogP of 20.75, 29 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(E)-3-(2H-pyrrol-4-yl)prop-2-enyl]pyridine-3-carboxamide;3-[2-(4-chlorophenyl)ethynyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]benzamide;5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;6-(3,5-dimethylpiperidin-1-yl)-5-[2-(4-fluorophenyl)ethynyl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)ethynyl]-6-(3-methylpiperazin-1-yl)-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 158440463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).