5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide
C64H58N6O10 — CID 158412471
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide
SMILESC=Cc1cnc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(OC)c(C=C)cn4)c3C)c2C)cc1OC.COc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(OC)c(C=O)cn4)c3C)c2C)ncc1C=O
InChIInChI=1S/C33H31N3O4.C31H27N3O6/c1-7-22-18-34-28(16-31(22)39-5)30(37)15-24-11-9-12-25(20(24)3)26-13-10-14-27(21(26)4)36-33(38)29-17-32(40-6)23(8-2)19-35-29;1-18-20(11-28(37)26-12-29(39-3)21(16-35)14-32-26)7-5-8-23(18)24-9-6-10-25(19(24)2)34-31(38)27-13-30(40-4)22(17-36)15-33-27/h7-14,16-19H,1-2,15H2,3-6H3,(H,36,38);5-10,12-17H,11H2,1-4H3,(H,34,38)
InChIKeyGZMCWXXQEQGYKO-UHFFFAOYSA-N
MW1071.20 g/mol
LogP11.82
Rot. Bonds20
About 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide
5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide (PubChem CID 158412471) has the molecular formula C64H58N6O10 and a molecular weight of 1071.20 g/mol. Its IUPAC name is 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide.
Molecular Properties
| Compound Name | 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide |
|---|---|
| PubChem CID | 158412471 |
| Molecular Formula | C64H58N6O10 |
| Molecular Weight | 1071.20 g/mol |
| Exact Mass | 1070.42 |
| IUPAC Name | 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide |
| SMILES | C=Cc1cnc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(OC)c(C=C)cn4)c3C)c2C)cc1OC.COc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(OC)c(C=O)cn4)c3C)c2C)ncc1C=O |
| InChI | InChI=1S/C33H31N3O4.C31H27N3O6/c1-7-22-18-34-28(16-31(22)39-5)30(37)15-24-11-9-12-25(20(24)3)26-13-10-14-27(21(26)4)36-33(38)29-17-32(40-6)23(8-2)19-35-29;1-18-20(11-28(37)26-12-29(39-3)21(16-35)14-32-26)7-5-8-23(18)24-9-6-10-25(19(24)2)34-31(38)27-13-30(40-4)22(17-36)15-33-27/h7-14,16-19H,1-2,15H2,3-6H3,(H,36,38);5-10,12-17H,11H2,1-4H3,(H,34,38) |
| InChIKey | GZMCWXXQEQGYKO-UHFFFAOYSA-N |
| XLogP | 11.82 |
| TPSA | 214.96 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 80 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1071.20 |
| LogP ≤ 5 | 11.82 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 14 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide?
The IUPAC name of 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide (CID 158412471) is 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide?
The canonical SMILES for 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide is C=Cc1cnc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(OC)c(C=C)cn4)c3C)c2C)cc1OC.COc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(OC)c(C=O)cn4)c3C)c2C)ncc1C=O.
What is the InChIKey of 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide?
The InChIKey is GZMCWXXQEQGYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O4.C31H27N3O6/c1-7-22-18-34-28(16-31(22)39-5)30(37)15-24-11-9-12-25(20(24)3)26-13-10-14-27(21(26)4)36-33(38)29-17-32(40-6)23(8-2)19-35-29;1-18-20(11-28(37)26-12-29(39-3)21(16-35)14-32-26)7-5-8-23(18)24-9-6-10-25(19(24)2)34-31(38)27-13-30(40-4)22(17-36)15-33-27/h7-14,16-19H,1-2,15H2,3-6H3,(H,36,38);5-10,12-17H,11H2,1-4H3,(H,34,38).
What are the key properties of 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide?
5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide has a molecular weight of 1071.20 g/mol, XLogP of 11.82, 20 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-N-[3-[3-[2-(5-ethenyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide;5-formyl-N-[3-[3-[2-(5-formyl-4-methoxy-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 158412471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158412471 — identifiers, structure, computed properties (public domain)
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