5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile

C19H20N4O6 — CID 135668942

IUPAC5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCOc1ccc(/N=C/c2c(C)c(C#N)c(=O)n(CCOC)c2O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H20N4O6/c1-4-29-13-5-6-16(17(9-13)23(26)27)21-11-15-12(2)14(10-20)18(24)22(19(15)25)7-8-28-3/h5-6,9,11,25H,4,7-8H2,1-3H3/b21-11+
InChIKeyXIZNDSVOXROGAW-SRZZPIQSSA-N
MW400.39 g/mol
LogP2.44
Rot. Bonds8

About 5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile

5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 135668942) has the molecular formula C19H20N4O6 and a molecular weight of 400.39 g/mol. Its IUPAC name is 5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID135668942
Molecular FormulaC19H20N4O6
Molecular Weight400.39 g/mol
Exact Mass400.14
IUPAC Name5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCOc1ccc(/N=C/c2c(C)c(C#N)c(=O)n(CCOC)c2O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H20N4O6/c1-4-29-13-5-6-16(17(9-13)23(26)27)21-11-15-12(2)14(10-20)18(24)22(19(15)25)7-8-28-3/h5-6,9,11,25H,4,7-8H2,1-3H3/b21-11+
InChIKeyXIZNDSVOXROGAW-SRZZPIQSSA-N
XLogP2.44
TPSA139.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 135668943
6-hydroxy-1-(2-methoxyethyl)-4-methyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]iminomethyl]-2-oxopyridine-3-carbonitrile
CID 135668964
6-hydroxy-1-(2-methoxyethyl)-4-methyl-5-[(4-nitrophenyl)iminomethyl]-2-oxopyridine-3-carbonitrile
CID 135668335
5-[(2-ethoxyphenyl)iminomethyl]-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 135984271
6-hydroxy-1-(3-methoxypropyl)-4-methyl-5-[(3-nitrophenyl)iminomethyl]-2-oxopyridine-3-carbonitrile
CID 135668356
5-[(2-bromo-4-nitrophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 135668577
1-ethyl-6-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)iminomethyl]-2-oxopyridine-3-carbonitrile
CID 135668889
5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 3410360
6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-5-[(4-propan-2-ylphenyl)iminomethyl]pyridine-3-carbonitrile
CID 135649303
5-[(2,4-dinitrophenyl)diazenyl]-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835241
5-[(2,3-dichlorophenyl)iminomethyl]-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 135668436
5-[(2-bromo-4-nitrophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 135668575

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile (CID 135668942) is 5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile is CCOc1ccc(/N=C/c2c(C)c(C#N)c(=O)n(CCOC)c2O)c([N+](=O)[O-])c1.
What is the InChIKey of 5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is XIZNDSVOXROGAW-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H20N4O6/c1-4-29-13-5-6-16(17(9-13)23(26)27)21-11-15-12(2)14(10-20)18(24)22(19(15)25)7-8-28-3/h5-6,9,11,25H,4,7-8H2,1-3H3/b21-11+.
What are the key properties of 5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile?
5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 400.39 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135668942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).