N-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide

C20H15N5O7 — CID 124544835

IUPACN-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide
SMILESCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C20H15N5O7/c1-31-18-9-13(5-7-17(18)32-19-8-6-16(12-21-19)25(29)30)11-22-23-20(26)14-3-2-4-15(10-14)24(27)28/h2-12H,1H3,(H,23,26)/b22-11-
InChIKeyHBGDEUHZOKOMML-JJFYIABZSA-N
MW437.37 g/mol
LogP3.46
Rot. Bonds8

About N-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide

N-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide (PubChem CID 124544835) has the molecular formula C20H15N5O7 and a molecular weight of 437.37 g/mol. Its IUPAC name is N-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide
PubChem CID124544835
Molecular FormulaC20H15N5O7
Molecular Weight437.37 g/mol
Exact Mass437.10
IUPAC NameN-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide
SMILESCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C20H15N5O7/c1-31-18-9-13(5-7-17(18)32-19-8-6-16(12-21-19)25(29)30)11-22-23-20(26)14-3-2-4-15(10-14)24(27)28/h2-12H,1H3,(H,23,26)/b22-11-
InChIKeyHBGDEUHZOKOMML-JJFYIABZSA-N
XLogP3.46
TPSA159.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'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)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-3-nitrobenzamide
CID 96884567
3-bromo-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]benzamide
CID 71951551
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 771719
[2-methoxy-4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 3667452
[2-methoxy-4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 3346721
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 9016103
N-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-3-nitrobenzamide
CID 126265070
N-[(E)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-3-nitrobenzamide
CID 6872852
N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 40963712
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3949968
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3983517
N-[(E)-[3-methoxy-4-[2-(3-nitroanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 126071863

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide (CID 124544835) is N-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide is COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide?
The InChIKey is HBGDEUHZOKOMML-JJFYIABZSA-N. The full InChI is InChI=1S/C20H15N5O7/c1-31-18-9-13(5-7-17(18)32-19-8-6-16(12-21-19)25(29)30)11-22-23-20(26)14-3-2-4-15(10-14)24(27)28/h2-12H,1H3,(H,23,26)/b22-11-.
What are the key properties of N-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide?
N-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide has a molecular weight of 437.37 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 124544835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).