3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide

C13H10N4O3 — CID 5405168

IUPAC3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccn1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O3/c18-13(10-4-3-6-12(8-10)17(19)20)16-15-9-11-5-1-2-7-14-11/h1-9H,(H,16,18)/b15-9-
InChIKeyBDIPDGBKQLKZNG-DHDCSXOGSA-N
MW270.25 g/mol
LogP1.75
Rot. Bonds4

About 3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide

3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide (PubChem CID 5405168) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
PubChem CID5405168
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccn1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O3/c18-13(10-4-3-6-12(8-10)17(19)20)16-15-9-11-5-1-2-7-14-11/h1-9H,(H,16,18)/b15-9-
InChIKeyBDIPDGBKQLKZNG-DHDCSXOGSA-N
XLogP1.75
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide
CID 869572
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136912782
2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide
CID 570404
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135504453
2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4263662
2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 46495533
3-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135425021
N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide
CID 137172037
3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 872063
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 136712209
3-nitro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 774214
N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
CID 577497

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide?
The IUPAC name of 3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide (CID 5405168) is 3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide?
The canonical SMILES for 3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide is O=C(N/N=C\c1ccccn1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide?
The InChIKey is BDIPDGBKQLKZNG-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-13(10-4-3-6-12(8-10)17(19)20)16-15-9-11-5-1-2-7-14-11/h1-9H,(H,16,18)/b15-9-.
What are the key properties of 3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide?
3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide has a molecular weight of 270.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 5405168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).