3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one

C107H111N25O30 — CID 165027630

IUPAC3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one
SMILESCCOc1ccc(/N=N/c2c(C)c(C#N)c(O)n(C)c2=O)c([N+](=O)[O-])c1.CCOc1ccc(/N=N/c2c(C)c(C)c(O)n(CC)c2=O)c([N+](=O)[O-])c1.CCn1c(O)c(C)c(C)c(/N=N/c2ccc(OC)cc2[N+](=O)[O-])c1=O.CCn1c(O)c(C)c(C)c(/N=N/c2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1=O.COc1ccc(/N=N/c2c(C)c(C)c(O)n(C)c2=O)c([N+](=O)[O-])c1.Cc1c(C)c(O)n(C)c(=O)c1/N=N/c1ccc(OCc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C22H22N4O5.C21H20N4O5.C17H20N4O5.C16H15N5O5.C16H18N4O5.C15H16N4O5/c1-4-25-21(27)15(3)14(2)20(22(25)28)24-23-18-11-10-17(12-19(18)26(29)30)31-13-16-8-6-5-7-9-16;1-13-14(2)20(26)24(3)21(27)19(13)23-22-17-10-9-16(11-18(17)25(28)29)30-12-15-7-5-4-6-8-15;1-5-20-16(22)11(4)10(3)15(17(20)23)19-18-13-8-7-12(26-6-2)9-14(13)21(24)25;1-4-26-10-5-6-12(13(7-10)21(24)25)18-19-14-9(2)11(8-17)15(22)20(3)16(14)23;1-5-19-15(21)10(3)9(2)14(16(19)22)18-17-12-7-6-11(25-4)8-13(12)20(23)24;1-8-9(2)14(20)18(3)15(21)13(8)17-16-11-6-5-10(24-4)7-12(11)19(22)23/h5-12,27H,4,13H2,1-3H3;4-11,26H,12H2,1-3H3;7-9,22H,5-6H2,1-4H3;5-7,22H,4H2,1-3H3;6-8,21H,5H2,1-4H3;5-7,20H,1-4H3/b24-23+;23-22+;2*19-18+;18-17+;17-16+
InChIKeySZXPJNLVTBHTCL-ZTNCODIYSA-N
MW2227.21 g/mol
LogP23.17
Rot. Bonds33

About 3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one

3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one (PubChem CID 165027630) has the molecular formula C107H111N25O30 and a molecular weight of 2227.21 g/mol. Its IUPAC name is 3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one.

Molecular Properties

Compound Name3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one
PubChem CID165027630
Molecular FormulaC107H111N25O30
Molecular Weight2227.21 g/mol
Exact Mass2225.79
IUPAC Name3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one
SMILESCCOc1ccc(/N=N/c2c(C)c(C#N)c(O)n(C)c2=O)c([N+](=O)[O-])c1.CCOc1ccc(/N=N/c2c(C)c(C)c(O)n(CC)c2=O)c([N+](=O)[O-])c1.CCn1c(O)c(C)c(C)c(/N=N/c2ccc(OC)cc2[N+](=O)[O-])c1=O.CCn1c(O)c(C)c(C)c(/N=N/c2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1=O.COc1ccc(/N=N/c2c(C)c(C)c(O)n(C)c2=O)c([N+](=O)[O-])c1.Cc1c(C)c(O)n(C)c(=O)c1/N=N/c1ccc(OCc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C22H22N4O5.C21H20N4O5.C17H20N4O5.C16H15N5O5.C16H18N4O5.C15H16N4O5/c1-4-25-21(27)15(3)14(2)20(22(25)28)24-23-18-11-10-17(12-19(18)26(29)30)31-13-16-8-6-5-7-9-16;1-13-14(2)20(26)24(3)21(27)19(13)23-22-17-10-9-16(11-18(17)25(28)29)30-12-15-7-5-4-6-8-15;1-5-20-16(22)11(4)10(3)15(17(20)23)19-18-13-8-7-12(26-6-2)9-14(13)21(24)25;1-4-26-10-5-6-12(13(7-10)21(24)25)18-19-14-9(2)11(8-17)15(22)20(3)16(14)23;1-5-19-15(21)10(3)9(2)14(16(19)22)18-17-12-7-6-11(25-4)8-13(12)20(23)24;1-8-9(2)14(20)18(3)15(21)13(8)17-16-11-6-5-10(24-4)7-12(11)19(22)23/h5-12,27H,4,13H2,1-3H3;4-11,26H,12H2,1-3H3;7-9,22H,5-6H2,1-4H3;5-7,22H,4H2,1-3H3;6-8,21H,5H2,1-4H3;5-7,20H,1-4H3/b24-23+;23-22+;2*19-18+;18-17+;17-16+
InChIKeySZXPJNLVTBHTCL-ZTNCODIYSA-N
XLogP23.17
TPSA739.71 Ų
H-Bond Donors6
H-Bond Acceptors49
Rotatable Bonds33
Heavy Atoms162
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002227.21
LogP ≤ 523.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one?
The IUPAC name of 3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one (CID 165027630) is 3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one.
What is the SMILES notation for 3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one?
The canonical SMILES for 3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one is CCOc1ccc(/N=N/c2c(C)c(C#N)c(O)n(C)c2=O)c([N+](=O)[O-])c1.CCOc1ccc(/N=N/c2c(C)c(C)c(O)n(CC)c2=O)c([N+](=O)[O-])c1.CCn1c(O)c(C)c(C)c(/N=N/c2ccc(OC)cc2[N+](=O)[O-])c1=O.CCn1c(O)c(C)c(C)c(/N=N/c2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1=O.COc1ccc(/N=N/c2c(C)c(C)c(O)n(C)c2=O)c([N+](=O)[O-])c1.Cc1c(C)c(O)n(C)c(=O)c1/N=N/c1ccc(OCc2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one?
The InChIKey is SZXPJNLVTBHTCL-ZTNCODIYSA-N. The full InChI is InChI=1S/C22H22N4O5.C21H20N4O5.C17H20N4O5.C16H15N5O5.C16H18N4O5.C15H16N4O5/c1-4-25-21(27)15(3)14(2)20(22(25)28)24-23-18-11-10-17(12-19(18)26(29)30)31-13-16-8-6-5-7-9-16;1-13-14(2)20(26)24(3)21(27)19(13)23-22-17-10-9-16(11-18(17)25(28)29)30-12-15-7-5-4-6-8-15;1-5-20-16(22)11(4)10(3)15(17(20)23)19-18-13-8-7-12(26-6-2)9-14(13)21(24)25;1-4-26-10-5-6-12(13(7-10)21(24)25)18-19-14-9(2)11(8-17)15(22)20(3)16(14)23;1-5-19-15(21)10(3)9(2)14(16(19)22)18-17-12-7-6-11(25-4)8-13(12)20(23)24;1-8-9(2)14(20)18(3)15(21)13(8)17-16-11-6-5-10(24-4)7-12(11)19(22)23/h5-12,27H,4,13H2,1-3H3;4-11,26H,12H2,1-3H3;7-9,22H,5-6H2,1-4H3;5-7,22H,4H2,1-3H3;6-8,21H,5H2,1-4H3;5-7,20H,1-4H3/b24-23+;23-22+;2*19-18+;18-17+;17-16+.
What are the key properties of 3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one?
3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one has a molecular weight of 2227.21 g/mol, XLogP of 23.17, 33 rotatable bonds, 6 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one is sourced from PubChem (CID 165027630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).