N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide

C20H16N4O4 — CID 7341048

IUPACN-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C20H16N4O4/c25-19(12-15-4-2-1-3-5-15)23-22-13-16-6-9-18(10-7-16)28-20-11-8-17(14-21-20)24(26)27/h1-11,13-14H,12H2,(H,23,25)/b22-13-
InChIKeyNVAADFDEZKOPDY-XKZIYDEJSA-N
MW376.37 g/mol
LogP3.47
Rot. Bonds7

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

N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide (PubChem CID 7341048) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide
PubChem CID7341048
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC NameN-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C20H16N4O4/c25-19(12-15-4-2-1-3-5-15)23-22-13-16-6-9-18(10-7-16)28-20-11-8-17(14-21-20)24(26)27/h1-11,13-14H,12H2,(H,23,25)/b22-13-
InChIKeyNVAADFDEZKOPDY-XKZIYDEJSA-N
XLogP3.47
TPSA106.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide
CID 1224245
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 6167073
4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
CID 7329141
3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide
CID 3123654
2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4298225
[4-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
CID 94844387
2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4525378
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6002004
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 21370508
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 94847972
2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 956205
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide (CID 7341048) is N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide?
The InChIKey is NVAADFDEZKOPDY-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H16N4O4/c25-19(12-15-4-2-1-3-5-15)23-22-13-16-6-9-18(10-7-16)28-20-11-8-17(14-21-20)24(26)27/h1-11,13-14H,12H2,(H,23,25)/b22-13-.
What are the key properties of N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide?
N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide has a molecular weight of 376.37 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 7341048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).