N'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(6-methyl-2-pyridinyl)oxamide

C15H14N4O4 — CID 172964476

IUPACN'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(6-methyl-2-pyridinyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(O)c2)n1
InChIInChI=1S/C15H14N4O4/c1-9-3-2-4-13(17-9)18-14(22)15(23)19-16-8-10-5-6-11(20)12(21)7-10/h2-8,20-21H,1H3,(H,19,23)(H,17,18,22)/b16-8+
InChIKeyLXAFNBRRMUONJZ-LZYBPNLTSA-N
MW314.30 g/mol
LogP0.89
Rot. Bonds3

About N'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(6-methyl-2-pyridinyl)oxamide

N'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(6-methyl-2-pyridinyl)oxamide (PubChem CID 172964476) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is N'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(6-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(6-methyl-2-pyridinyl)oxamide
PubChem CID172964476
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(6-methyl-2-pyridinyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(O)c2)n1
InChIInChI=1S/C15H14N4O4/c1-9-3-2-4-13(17-9)18-14(22)15(23)19-16-8-10-5-6-11(20)12(21)7-10/h2-8,20-21H,1H3,(H,19,23)(H,17,18,22)/b16-8+
InChIKeyLXAFNBRRMUONJZ-LZYBPNLTSA-N
XLogP0.89
TPSA123.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-(2-hydroxy-5-methylphenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108522685
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide;hydrate
CID 139076968
N-(4-carbamoylphenyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 108525732
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135647190
N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 135821347
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 135615101
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide
CID 135435759
N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide
CID 44997660
N-(6-methyl-2-pyridinyl)-N'-propan-2-yloxamide
CID 44997659
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135420053
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135813981
2-[(6-methyl-2-pyridinyl)carbamoylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 54602538

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(6-methyl-2-pyridinyl)oxamide?
The IUPAC name of N'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(6-methyl-2-pyridinyl)oxamide (CID 172964476) is N'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(6-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(6-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(6-methyl-2-pyridinyl)oxamide is Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(O)c2)n1.
What is the InChIKey of N'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(6-methyl-2-pyridinyl)oxamide?
The InChIKey is LXAFNBRRMUONJZ-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-9-3-2-4-13(17-9)18-14(22)15(23)19-16-8-10-5-6-11(20)12(21)7-10/h2-8,20-21H,1H3,(H,19,23)(H,17,18,22)/b16-8+.
What are the key properties of N'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(6-methyl-2-pyridinyl)oxamide?
N'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(6-methyl-2-pyridinyl)oxamide has a molecular weight of 314.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(6-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 172964476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).