2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide

C13H10N4O3 — CID 4263662

IUPAC2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1ccccn1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10N4O3/c18-13(11-6-1-2-7-12(11)17(19)20)16-15-9-10-5-3-4-8-14-10/h1-9H,(H,16,18)
InChIKeyXNFLYUGSRWINEI-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.75
Rot. Bonds4

About 2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide

2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide (PubChem CID 4263662) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide
PubChem CID4263662
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1ccccn1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10N4O3/c18-13(11-6-1-2-7-12(11)17(19)20)16-15-9-10-5-3-4-8-14-10/h1-9H,(H,16,18)
InChIKeyXNFLYUGSRWINEI-UHFFFAOYSA-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

2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 46495533
2-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide;dihydrate
CID 139147248
3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5405168
2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 51660057
N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 676026
2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5394670
2-benzamido-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4111465
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide
CID 137021200
2-N,6-N-bis[(Z)-pyridin-2-ylmethylideneamino]pyridine-2,6-dicarboxamide
CID 5437141
N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine
CID 13423752
N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139983800

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide?
The IUPAC name of 2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide (CID 4263662) is 2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide.
What is the SMILES notation for 2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide?
The canonical SMILES for 2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide is O=C(NN=Cc1ccccn1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide?
The InChIKey is XNFLYUGSRWINEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-13(11-6-1-2-7-12(11)17(19)20)16-15-9-10-5-3-4-8-14-10/h1-9H,(H,16,18).
What are the key properties of 2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide?
2-nitro-N-(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 2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide is sourced from PubChem (CID 4263662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).