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

C14H12N4O5 — CID 135589441

IUPACN-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccnc2)c1O
InChIInChI=1S/C14H12N4O5/c1-23-12-6-11(18(21)22)5-10(13(12)19)8-16-17-14(20)9-3-2-4-15-7-9/h2-8,19H,1H3,(H,17,20)/b16-8+
InChIKeyZLFUPGPCKIMXIY-LZYBPNLTSA-N
MW316.27 g/mol
LogP1.47
Rot. Bonds5

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

N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 135589441) has the molecular formula C14H12N4O5 and a molecular weight of 316.27 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID135589441
Molecular FormulaC14H12N4O5
Molecular Weight316.27 g/mol
Exact Mass316.08
IUPAC NameN-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccnc2)c1O
InChIInChI=1S/C14H12N4O5/c1-23-12-6-11(18(21)22)5-10(13(12)19)8-16-17-14(20)9-3-2-4-15-7-9/h2-8,19H,1H3,(H,17,20)/b16-8+
InChIKeyZLFUPGPCKIMXIY-LZYBPNLTSA-N
XLogP1.47
TPSA126.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 51.47
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]-2-methylquinoline-4-carbohydrazide
CID 135645960
(E)-N'-(2-hydroxy-3-methoxybenzylidene)isonicotinohydrazide
CID 135439994
N'-[(E)-(3-hydroxy-4-methoxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 6898622
5-bromo-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyridine-3-carbohydrazide
CID 135472660
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
CID 135749819
o-Vanillin-isonicotinoyl hydrazone
CID 234265
N'-(4,5-dimethoxy-2-nitrobenzylidene)isonicotinohydrazide
CID 9556736
N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
CID 135486010
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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide (CID 135589441) is N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide is COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccnc2)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is ZLFUPGPCKIMXIY-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H12N4O5/c1-23-12-6-11(18(21)22)5-10(13(12)19)8-16-17-14(20)9-3-2-4-15-7-9/h2-8,19H,1H3,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 316.27 g/mol, XLogP of 1.47, 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]pyridine-3-carboxamide is sourced from PubChem (CID 135589441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).