6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate;pyridin-3-ylmethanamine;trimethylalumane

C59H59AlF2N10O3 — CID 159521744

About 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate;pyridin-3-ylmethanamine;trimethylalumane

6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate;pyridin-3-ylmethanamine;trimethylalumane (PubChem CID 159521744) has the molecular formula C59H59AlF2N10O3 and a molecular weight of 1021.17 g/mol. Its IUPAC name is 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate;pyridin-3-ylmethanamine;trimethylalumane.

Molecular Properties

• Compound Name: 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate;pyridin-3-ylmethanamine;trimethylalumane
• PubChem CID: 159521744
• Molecular Formula: C59H59AlF2N10O3
• Molecular Weight: 1021.17 g/mol
• Exact Mass: 1020.46
• IUPAC Name: 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate;pyridin-3-ylmethanamine;trimethylalumane
• SMILES: CCOC(=O)c1cnc(-c2ccccc2C#N)cc1NCCc1cccc(F)c1.C[Al](C)C.N#Cc1ccccc1-c1cc(NCCc2cccc(F)c2)c(C(=O)NCc2cccnc2)cn1.NCc1cccnc1
• InChI: InChI=1S/C27H22FN5O.C23H20FN3O2.C6H8N2.3CH3.Al/c28-22-8-3-5-19(13-22)10-12-31-26-14-25(23-9-2-1-7-21(23)15-29)32-18-24(26)27(34)33-17-20-6-4-11-30-16-20;1-2-29-23(28)20-15-27-21(19-9-4-3-7-17(19)14-25)13-22(20)26-11-10-16-6-5-8-18(24)12-16;7-4-6-2-1-3-8-5-6;;;;/h1-9,11,13-14,16,18H,10,12,17H2,(H,31,32)(H,33,34);3-9,12-13,15H,2,10-11H2,1H3,(H,26,27);1-3,5H,4,7H2;3*1H3
• InChIKey: BSOZPLOPLKGWGW-UHFFFAOYSA-N
• XLogP: 11.24
• TPSA: 204.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1021.17
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate;pyridin-3-ylmethanamine;trimethylalumane?

The IUPAC name of 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate;pyridin-3-ylmethanamine;trimethylalumane (CID 159521744) is 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate;pyridin-3-ylmethanamine;trimethylalumane.

What is the SMILES notation for 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate;pyridin-3-ylmethanamine;trimethylalumane?

The canonical SMILES for 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate;pyridin-3-ylmethanamine;trimethylalumane is CCOC(=O)c1cnc(-c2ccccc2C#N)cc1NCCc1cccc(F)c1.C[Al](C)C.N#Cc1ccccc1-c1cc(NCCc2cccc(F)c2)c(C(=O)NCc2cccnc2)cn1.NCc1cccnc1.

What is the InChIKey of 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate;pyridin-3-ylmethanamine;trimethylalumane?

The InChIKey is BSOZPLOPLKGWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O.C23H20FN3O2.C6H8N2.3CH3.Al/c28-22-8-3-5-19(13-22)10-12-31-26-14-25(23-9-2-1-7-21(23)15-29)32-18-24(26)27(34)33-17-20-6-4-11-30-16-20;1-2-29-23(28)20-15-27-21(19-9-4-3-7-17(19)14-25)13-22(20)26-11-10-16-6-5-8-18(24)12-16;7-4-6-2-1-3-8-5-6;;;;/h1-9,11,13-14,16,18H,10,12,17H2,(H,31,32)(H,33,34);3-9,12-13,15H,2,10-11H2,1H3,(H,26,27);1-3,5H,4,7H2;3*1H3;.

What are the key properties of 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate;pyridin-3-ylmethanamine;trimethylalumane?

6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate;pyridin-3-ylmethanamine;trimethylalumane has a molecular weight of 1021.17 g/mol, XLogP of 11.24, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate;pyridin-3-ylmethanamine;trimethylalumane is sourced from PubChem (CID 159521744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).