3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione

C28H28N6O6 — CID 87517731

IUPAC3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione
SMILESCOc1ccccc1/N=N/C1C(=O)NC(=O)C(CCC2=C(C)C(/N=N/c3ccccc3OC)C(=O)NC2=O)=C1C
InChIInChI=1S/C28H28N6O6/c1-15-17(25(35)29-27(37)23(15)33-31-19-9-5-7-11-21(19)39-3)13-14-18-16(2)24(28(38)30-26(18)36)34-32-20-10-6-8-12-22(20)40-4/h5-12,23-24H,13-14H2,1-4H3,(H,29,35,37)(H,30,36,38)/b33-31+,34-32+
InChIKeyFRKATRNUOZAQCX-FMWAKIAMSA-N
MW544.57 g/mol
LogP4.03
Rot. Bonds9

About 3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione

3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione (PubChem CID 87517731) has the molecular formula C28H28N6O6 and a molecular weight of 544.57 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione
PubChem CID87517731
Molecular FormulaC28H28N6O6
Molecular Weight544.57 g/mol
Exact Mass544.21
IUPAC Name3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione
SMILESCOc1ccccc1/N=N/C1C(=O)NC(=O)C(CCC2=C(C)C(/N=N/c3ccccc3OC)C(=O)NC2=O)=C1C
InChIInChI=1S/C28H28N6O6/c1-15-17(25(35)29-27(37)23(15)33-31-19-9-5-7-11-21(19)39-3)13-14-18-16(2)24(28(38)30-26(18)36)34-32-20-10-6-8-12-22(20)40-4/h5-12,23-24H,13-14H2,1-4H3,(H,29,35,37)(H,30,36,38)/b33-31+,34-32+
InChIKeyFRKATRNUOZAQCX-FMWAKIAMSA-N
XLogP4.03
TPSA160.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.57
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione?
The IUPAC name of 3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione (CID 87517731) is 3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione.
What is the SMILES notation for 3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione?
The canonical SMILES for 3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione is COc1ccccc1/N=N/C1C(=O)NC(=O)C(CCC2=C(C)C(/N=N/c3ccccc3OC)C(=O)NC2=O)=C1C.
What is the InChIKey of 3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione?
The InChIKey is FRKATRNUOZAQCX-FMWAKIAMSA-N. The full InChI is InChI=1S/C28H28N6O6/c1-15-17(25(35)29-27(37)23(15)33-31-19-9-5-7-11-21(19)39-3)13-14-18-16(2)24(28(38)30-26(18)36)34-32-20-10-6-8-12-22(20)40-4/h5-12,23-24H,13-14H2,1-4H3,(H,29,35,37)(H,30,36,38)/b33-31+,34-32+.
What are the key properties of 3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione?
3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione has a molecular weight of 544.57 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione is sourced from PubChem (CID 87517731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).