N-[(3S)-7-[(3Z)-3-ethenylhexa-3,5-dienyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;(3E)-hexa-1,3,5-trien-3-ol

C29H38N2O7 — CID 144822082

About N-[(3S)-7-[(3Z)-3-ethenylhexa-3,5-dienyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;(3E)-hexa-1,3,5-trien-3-ol

N-[(3S)-7-[(3Z)-3-ethenylhexa-3,5-dienyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;(3E)-hexa-1,3,5-trien-3-ol (PubChem CID 144822082) has the molecular formula C29H38N2O7 and a molecular weight of 526.63 g/mol. Its IUPAC name is N-[(3S)-7-[(3Z)-3-ethenylhexa-3,5-dienyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;(3E)-hexa-1,3,5-trien-3-ol.

Molecular Properties

• Compound Name: N-[(3S)-7-[(3Z)-3-ethenylhexa-3,5-dienyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;(3E)-hexa-1,3,5-trien-3-ol
• PubChem CID: 144822082
• Molecular Formula: C29H38N2O7
• Molecular Weight: 526.63 g/mol
• Exact Mass: 526.27
• IUPAC Name: N-[(3S)-7-[(3Z)-3-ethenylhexa-3,5-dienyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;(3E)-hexa-1,3,5-trien-3-ol
• SMILES: C=C/C=C(/O)C=C.C=C/C=C(\C=C)CCC1COC[C@H](NC(=O)c2nccc(OC)c2O)C(=O)OC(C)C1
• InChI: InChI=1S/C23H30N2O6.C6H8O/c1-5-7-16(6-2)8-9-17-12-15(3)31-23(28)18(14-30-13-17)25-22(27)20-21(26)19(29-4)10-11-24-20;1-3-5-6(7)4-2/h5-7,10-11,15,17-18,26H,1-2,8-9,12-14H2,3-4H3,(H,25,27);3-5,7H,1-2H2/b16-7+;6-5+/t15?,17?,18-;/m0./s1
• InChIKey: MPDWGQRBXWDIGR-XXWLHTPSSA-N
• XLogP: 4.74
• TPSA: 127.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.63
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-7-[(3Z)-3-ethenylhexa-3,5-dienyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;(3E)-hexa-1,3,5-trien-3-ol?

The IUPAC name of N-[(3S)-7-[(3Z)-3-ethenylhexa-3,5-dienyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;(3E)-hexa-1,3,5-trien-3-ol (CID 144822082) is N-[(3S)-7-[(3Z)-3-ethenylhexa-3,5-dienyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;(3E)-hexa-1,3,5-trien-3-ol.

What is the SMILES notation for N-[(3S)-7-[(3Z)-3-ethenylhexa-3,5-dienyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;(3E)-hexa-1,3,5-trien-3-ol?

The canonical SMILES for N-[(3S)-7-[(3Z)-3-ethenylhexa-3,5-dienyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;(3E)-hexa-1,3,5-trien-3-ol is C=C/C=C(/O)C=C.C=C/C=C(\C=C)CCC1COC[C@H](NC(=O)c2nccc(OC)c2O)C(=O)OC(C)C1.

What is the InChIKey of N-[(3S)-7-[(3Z)-3-ethenylhexa-3,5-dienyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;(3E)-hexa-1,3,5-trien-3-ol?

The InChIKey is MPDWGQRBXWDIGR-XXWLHTPSSA-N. The full InChI is InChI=1S/C23H30N2O6.C6H8O/c1-5-7-16(6-2)8-9-17-12-15(3)31-23(28)18(14-30-13-17)25-22(27)20-21(26)19(29-4)10-11-24-20;1-3-5-6(7)4-2/h5-7,10-11,15,17-18,26H,1-2,8-9,12-14H2,3-4H3,(H,25,27);3-5,7H,1-2H2/b16-7+;6-5+/t15?,17?,18-;/m0./s1.

What are the key properties of N-[(3S)-7-[(3Z)-3-ethenylhexa-3,5-dienyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;(3E)-hexa-1,3,5-trien-3-ol?

N-[(3S)-7-[(3Z)-3-ethenylhexa-3,5-dienyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;(3E)-hexa-1,3,5-trien-3-ol has a molecular weight of 526.63 g/mol, XLogP of 4.74, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-7-[(3Z)-3-ethenylhexa-3,5-dienyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;(3E)-hexa-1,3,5-trien-3-ol is sourced from PubChem (CID 144822082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).