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

C20H22N4O4 — CID 135649427

IUPAC6-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(/C=N/c2cccc(O)c2)c(O)n(CCN2CCOCC2)c(=O)c1C#N
InChIInChI=1S/C20H22N4O4/c1-14-17(12-21)19(26)24(6-5-23-7-9-28-10-8-23)20(27)18(14)13-22-15-3-2-4-16(25)11-15/h2-4,11,13,25,27H,5-10H2,1H3/b22-13+
InChIKeyLNFVDRMQQQCSAM-LPYMAVHISA-N
MW382.42 g/mol
LogP1.52
Rot. Bonds5

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

6-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile (PubChem CID 135649427) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 6-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
PubChem CID135649427
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name6-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(/C=N/c2cccc(O)c2)c(O)n(CCN2CCOCC2)c(=O)c1C#N
InChIInChI=1S/C20H22N4O4/c1-14-17(12-21)19(26)24(6-5-23-7-9-28-10-8-23)20(27)18(14)13-22-15-3-2-4-16(25)11-15/h2-4,11,13,25,27H,5-10H2,1H3/b22-13+
InChIKeyLNFVDRMQQQCSAM-LPYMAVHISA-N
XLogP1.52
TPSA111.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
CID 135653160
5-[(3,4-difluorophenyl)iminomethyl]-6-hydroxy-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
CID 135649405
5-[(2,4-dimethylphenyl)iminomethyl]-6-hydroxy-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
CID 135653007
1-butyl-5-[[4-[(1-butyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylideneamino]phenyl]iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 136740461
5-[(3-chloro-4-methylphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135668801
6-hydroxy-1-(3-methoxypropyl)-4-methyl-5-[(3-nitrophenyl)iminomethyl]-2-oxopyridine-3-carbonitrile
CID 135668356
6-hydroxy-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile
CID 135669196
5-[(3-chloro-4-methylphenyl)iminomethyl]-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 135668793
5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 979339
5-[(3,4-dimethylphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135668319
5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile
CID 135668662
5-[(2,6-dimethylphenyl)iminomethyl]-1-hexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135669248

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile (CID 135649427) is 6-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile is Cc1c(/C=N/c2cccc(O)c2)c(O)n(CCN2CCOCC2)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is LNFVDRMQQQCSAM-LPYMAVHISA-N. The full InChI is InChI=1S/C20H22N4O4/c1-14-17(12-21)19(26)24(6-5-23-7-9-28-10-8-23)20(27)18(14)13-22-15-3-2-4-16(25)11-15/h2-4,11,13,25,27H,5-10H2,1H3/b22-13+.
What are the key properties of 6-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?
6-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 382.42 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135649427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).