N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide

C14H13N3O4 — CID 135458965

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)N/N=C/c2ccc(O)cc2O)ccc1=O
InChIInChI=1S/C14H13N3O4/c1-17-8-10(3-5-13(17)20)14(21)16-15-7-9-2-4-11(18)6-12(9)19/h2-8,18-19H,1H3,(H,16,21)/b15-7+
InChIKeyVKJSXNLIFKWNPZ-VIZOYTHASA-N
MW287.28 g/mol
LogP0.56
Rot. Bonds3

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 135458965) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID135458965
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)N/N=C/c2ccc(O)cc2O)ccc1=O
InChIInChI=1S/C14H13N3O4/c1-17-8-10(3-5-13(17)20)14(21)16-15-7-9-2-4-11(18)6-12(9)19/h2-8,18-19H,1H3,(H,16,21)/b15-7+
InChIKeyVKJSXNLIFKWNPZ-VIZOYTHASA-N
XLogP0.56
TPSA103.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

N'~1~,N'~2~-bis(2,4-dihydroxybenzylidene)ethanedihydrazide
CID 135576680
N'-(2,4-dihydroxybenzylidene)cyclopropanecarbohydrazide
CID 135643065
(2E)-2-benzylidene-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-4-hydroxybutanehydrazide
CID 135517036
2,4-Dihydroxybenzaldehyde (5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)hydrazone
CID 135412278
(Z)-N-[2-oxidanylidene-2-[2-[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]ethyl]-3-phenyl-prop-2-enamide
CID 135549626
N'-(2,4-Dihydroxybenzylidene)acetohydrazide
CID 135615765
N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 5334049
N'-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]oxamide
CID 136167960
[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 135422185
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide
CID 135509649
Ethanedioic acid bis(((2,4-dihydroxyphenyl)methylene)hydrazide)
CID 243638
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
CID 135452822

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide (CID 135458965) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)N/N=C/c2ccc(O)cc2O)ccc1=O.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is VKJSXNLIFKWNPZ-VIZOYTHASA-N. The full InChI is InChI=1S/C14H13N3O4/c1-17-8-10(3-5-13(17)20)14(21)16-15-7-9-2-4-11(18)6-12(9)19/h2-8,18-19H,1H3,(H,16,21)/b15-7+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 135458965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).