N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide

C16H16N4O5 — CID 4687324

IUPACN-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCCOc1cc(C=NNC(=O)c2ccc(C)nc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H16N4O5/c1-3-25-14-7-11(6-13(15(14)21)20(23)24)8-18-19-16(22)12-5-4-10(2)17-9-12/h4-9,21H,3H2,1-2H3,(H,19,22)
InChIKeyGLAYEDBBBULPPW-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.17
Rot. Bonds6

About N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide

N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide (PubChem CID 4687324) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
PubChem CID4687324
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC NameN-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCCOc1cc(C=NNC(=O)c2ccc(C)nc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H16N4O5/c1-3-25-14-7-11(6-13(15(14)21)20(23)24)8-18-19-16(22)12-5-4-10(2)17-9-12/h4-9,21H,3H2,1-2H3,(H,19,22)
InChIKeyGLAYEDBBBULPPW-UHFFFAOYSA-N
XLogP2.17
TPSA126.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 135642283
N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyridine-3-carbohydrazide
CID 135589441
5-bromo-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyridine-3-carbohydrazide
CID 135472660
N'-[(1E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylene]-6-methylnicotinohydrazide
CID 135439723
(E)-N'-(2-hydroxy-3-methoxy-5-nitrobenzylidene)-6-methylnicotinohydrazide
CID 135521499
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
2-methoxy-4-{(E)-[2-(pyridin-3-ylcarbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate
CID 5334639
N'-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-6-methylnicotinohydrazide
CID 135473288
N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyridine-4-carbohydrazide
CID 135589440
N-[(E)-(3,4-dihydroxy-5-nitro-phenyl)methyleneamino]pyridine-3-carboxamide
CID 176513786
N'-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}nicotinohydrazide
CID 5335969

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide (CID 4687324) is N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide is CCOc1cc(C=NNC(=O)c2ccc(C)nc2)cc([N+](=O)[O-])c1O.
What is the InChIKey of N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The InChIKey is GLAYEDBBBULPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-3-25-14-7-11(6-13(15(14)21)20(23)24)8-18-19-16(22)12-5-4-10(2)17-9-12/h4-9,21H,3H2,1-2H3,(H,19,22).
What are the key properties of N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 4687324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).