1-(4-hydroxyphenyl)-2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxopyridine-2,6-dicarboxamide

C27H21N5O6 — CID 135801639

IUPAC1-(4-hydroxyphenyl)-2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxopyridine-2,6-dicarboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1cc(=O)cc(C(=O)N/N=C/c2ccccc2O)n1-c1ccc(O)cc1
InChIInChI=1S/C27H21N5O6/c33-20-11-9-19(10-12-20)32-22(26(37)30-28-15-17-5-1-3-7-24(17)35)13-21(34)14-23(32)27(38)31-29-16-18-6-2-4-8-25(18)36/h1-16,33,35-36H,(H,30,37)(H,31,38)/b28-15+,29-16+
InChIKeyDVCBUQGGSREBKJ-QSXCDPBRSA-N
MW511.49 g/mol
LogP2.48
Rot. Bonds7

About 1-(4-hydroxyphenyl)-2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxopyridine-2,6-dicarboxamide

1-(4-hydroxyphenyl)-2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxopyridine-2,6-dicarboxamide (PubChem CID 135801639) has the molecular formula C27H21N5O6 and a molecular weight of 511.49 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxopyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxopyridine-2,6-dicarboxamide
PubChem CID135801639
Molecular FormulaC27H21N5O6
Molecular Weight511.49 g/mol
Exact Mass511.15
IUPAC Name1-(4-hydroxyphenyl)-2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxopyridine-2,6-dicarboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1cc(=O)cc(C(=O)N/N=C/c2ccccc2O)n1-c1ccc(O)cc1
InChIInChI=1S/C27H21N5O6/c33-20-11-9-19(10-12-20)32-22(26(37)30-28-15-17-5-1-3-7-24(17)35)13-21(34)14-23(32)27(38)31-29-16-18-6-2-4-8-25(18)36/h1-16,33,35-36H,(H,30,37)(H,31,38)/b28-15+,29-16+
InChIKeyDVCBUQGGSREBKJ-QSXCDPBRSA-N
XLogP2.48
TPSA165.61 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.49
LogP ≤ 52.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
N'-(3-allyl-2-hydroxybenzylidene)-2-anilinoacetohydrazide
CID 135490294
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 135520042
N'-[(1E)-(2-hydroxyphenyl)methylidene]-2-(1,2,3,4-tetrahydroquinolin-1-yl)acetohydrazide
CID 135521563
N'-(2-Hydroxybenzylidene)-2-(3-toluidino)acetohydrazide
CID 135479388
2-(2-(2-Hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135459122
1,3-Diphenyl-4-((p-hydroxyanilino)methylene)-2-pyrazolin-5-one
CID 212693
4-Phenyl-1-piperazineacetic acid ((2-hydroxyphenyl)(phenylazo)methylene)hydrazide
CID 135853840
4-Phenyl-1-piperazineacetic acid ((2-hydroxyphenyl)(2-methylphenylazo)methylene)hydrazide
CID 135853841
2-(2-(2-Hydroxybenzylidene)hydrazino)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 135515683
N-(4-Ethylphenyl)-2-(2-(2-hydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 135531554
2-(4-fluoroanilino)-N'-[(2-hydroxyphenyl)methylene]acetohydrazide
CID 135698698

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxopyridine-2,6-dicarboxamide?
The IUPAC name of 1-(4-hydroxyphenyl)-2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxopyridine-2,6-dicarboxamide (CID 135801639) is 1-(4-hydroxyphenyl)-2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxopyridine-2,6-dicarboxamide.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxopyridine-2,6-dicarboxamide?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxopyridine-2,6-dicarboxamide is O=C(N/N=C/c1ccccc1O)c1cc(=O)cc(C(=O)N/N=C/c2ccccc2O)n1-c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxopyridine-2,6-dicarboxamide?
The InChIKey is DVCBUQGGSREBKJ-QSXCDPBRSA-N. The full InChI is InChI=1S/C27H21N5O6/c33-20-11-9-19(10-12-20)32-22(26(37)30-28-15-17-5-1-3-7-24(17)35)13-21(34)14-23(32)27(38)31-29-16-18-6-2-4-8-25(18)36/h1-16,33,35-36H,(H,30,37)(H,31,38)/b28-15+,29-16+.
What are the key properties of 1-(4-hydroxyphenyl)-2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxopyridine-2,6-dicarboxamide?
1-(4-hydroxyphenyl)-2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxopyridine-2,6-dicarboxamide has a molecular weight of 511.49 g/mol, XLogP of 2.48, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxopyridine-2,6-dicarboxamide is sourced from PubChem (CID 135801639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).