6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile

C21H24N4O4 — CID 135653160

IUPAC6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1cccc(/N=C/c2c(C)c(C#N)c(=O)n(CCN3CCOCC3)c2O)c1
InChIInChI=1S/C21H24N4O4/c1-15-18(13-22)20(26)25(7-6-24-8-10-29-11-9-24)21(27)19(15)14-23-16-4-3-5-17(12-16)28-2/h3-5,12,14,27H,6-11H2,1-2H3/b23-14+
InChIKeyHJCJULWNCCJRLR-OEAKJJBVSA-N
MW396.45 g/mol
LogP1.83
Rot. Bonds6

About 6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile

6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile (PubChem CID 135653160) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
PubChem CID135653160
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1cccc(/N=C/c2c(C)c(C#N)c(=O)n(CCN3CCOCC3)c2O)c1
InChIInChI=1S/C21H24N4O4/c1-15-18(13-22)20(26)25(7-6-24-8-10-29-11-9-24)21(27)19(15)14-23-16-4-3-5-17(12-16)28-2/h3-5,12,14,27H,6-11H2,1-2H3/b23-14+
InChIKeyHJCJULWNCCJRLR-OEAKJJBVSA-N
XLogP1.83
TPSA100.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile (CID 135653160) is 6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile is COc1cccc(/N=C/c2c(C)c(C#N)c(=O)n(CCN3CCOCC3)c2O)c1.
What is the InChIKey of 6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is HJCJULWNCCJRLR-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-15-18(13-22)20(26)25(7-6-24-8-10-29-11-9-24)21(27)19(15)14-23-16-4-3-5-17(12-16)28-2/h3-5,12,14,27H,6-11H2,1-2H3/b23-14+.
What are the key properties of 6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?
6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 396.45 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135653160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).