N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide

C15H14N4O5 — CID 135521499

IUPACN-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(C)nc2)c1O
InChIInChI=1S/C15H14N4O5/c1-9-3-4-10(7-16-9)15(21)18-17-8-11-5-12(19(22)23)6-13(24-2)14(11)20/h3-8,20H,1-2H3,(H,18,21)/b17-8+
InChIKeyVDATZBGSCQQICH-CAOOACKPSA-N
MW330.30 g/mol
LogP1.78
Rot. Bonds5

About N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide

N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide (PubChem CID 135521499) has the molecular formula C15H14N4O5 and a molecular weight of 330.30 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
PubChem CID135521499
Molecular FormulaC15H14N4O5
Molecular Weight330.30 g/mol
Exact Mass330.10
IUPAC NameN-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(C)nc2)c1O
InChIInChI=1S/C15H14N4O5/c1-9-3-4-10(7-16-9)15(21)18-17-8-11-5-12(19(22)23)6-13(24-2)14(11)20/h3-8,20H,1-2H3,(H,18,21)/b17-8+
InChIKeyVDATZBGSCQQICH-CAOOACKPSA-N
XLogP1.78
TPSA126.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-Ethoxy-2-hydroxybenzylidene)nicotinohydrazide
CID 135533166
N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyridine-3-carbohydrazide
CID 135589441
N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-methylquinoline-4-carbohydrazide
CID 135645960
5-bromo-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyridine-3-carbohydrazide
CID 135472660
N'-(4,5-dimethoxy-2-nitrobenzylidene)isonicotinohydrazide
CID 9556736
N'-[(1E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylene]-6-methylnicotinohydrazide
CID 135439723
5-bromo-N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyridine-3-carbohydrazide
CID 135549844
6-Methyl-nicotinic acid (3-hydroxy-4-methoxy-benzylidene)-hydrazide
CID 9590137
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 135483804
N'-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]pyridine-3-carbohydrazide
CID 6906337
(E)-N'-(2-hydroxy-5-nitrobenzylidene)nicotinohydrazide
CID 135400368
N'-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-6-methylnicotinohydrazide
CID 135473288

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide (CID 135521499) is N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide is COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(C)nc2)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The InChIKey is VDATZBGSCQQICH-CAOOACKPSA-N. The full InChI is InChI=1S/C15H14N4O5/c1-9-3-4-10(7-16-9)15(21)18-17-8-11-5-12(19(22)23)6-13(24-2)14(11)20/h3-8,20H,1-2H3,(H,18,21)/b17-8+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide has a molecular weight of 330.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 135521499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).