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

C18H13N5O5 — CID 7329141

IUPAC4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
SMILESO=[N+]([O-])c1ccc(N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)cc1
InChIInChI=1S/C18H13N5O5/c24-22(25)15-5-3-14(4-6-15)21-20-11-13-1-8-17(9-2-13)28-18-10-7-16(12-19-18)23(26)27/h1-12,21H/b20-11-
InChIKeyLNTVBVDYZSJHNE-JAIQZWGSSA-N
MW379.33 g/mol
LogP4.14
Rot. Bonds7

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

4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline (PubChem CID 7329141) has the molecular formula C18H13N5O5 and a molecular weight of 379.33 g/mol. Its IUPAC name is 4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
PubChem CID7329141
Molecular FormulaC18H13N5O5
Molecular Weight379.33 g/mol
Exact Mass379.09
IUPAC Name4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
SMILESO=[N+]([O-])c1ccc(N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)cc1
InChIInChI=1S/C18H13N5O5/c24-22(25)15-5-3-14(4-6-15)21-20-11-13-1-8-17(9-2-13)28-18-10-7-16(12-19-18)23(26)27/h1-12,21H/b20-11-
InChIKeyLNTVBVDYZSJHNE-JAIQZWGSSA-N
XLogP4.14
TPSA132.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline
CID 61027206
N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide
CID 7341048
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-nitroaniline
CID 5332551
3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide
CID 3123654
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]-4-nitroaniline
CID 110842153
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline
CID 67519187
2-naphthalen-1-yl-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]acetamide
CID 1224245
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
4-nitro-N-[(E)-[4-(3-phenylpropoxy)phenyl]methylideneamino]aniline
CID 110506375
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide
CID 55713791

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline?
The IUPAC name of 4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline (CID 7329141) is 4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for 4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline?
The canonical SMILES for 4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline is O=[N+]([O-])c1ccc(N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)cc1.
What is the InChIKey of 4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline?
The InChIKey is LNTVBVDYZSJHNE-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H13N5O5/c24-22(25)15-5-3-14(4-6-15)21-20-11-13-1-8-17(9-2-13)28-18-10-7-16(12-19-18)23(26)27/h1-12,21H/b20-11-.
What are the key properties of 4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline?
4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline has a molecular weight of 379.33 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 7329141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).