3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide

C14H11N5O5 — CID 40532157

IUPAC3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccn1
InChIInChI=1S/C14H11N5O5/c1-9(13-4-2-3-5-15-13)16-17-14(20)10-6-11(18(21)22)8-12(7-10)19(23)24/h2-8H,1H3,(H,17,20)/b16-9-
InChIKeyXZAADFVFTKZGCZ-SXGWCWSVSA-N
MW329.27 g/mol
LogP2.05
Rot. Bonds5

About 3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide

3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide (PubChem CID 40532157) has the molecular formula C14H11N5O5 and a molecular weight of 329.27 g/mol. Its IUPAC name is 3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
PubChem CID40532157
Molecular FormulaC14H11N5O5
Molecular Weight329.27 g/mol
Exact Mass329.08
IUPAC Name3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccn1
InChIInChI=1S/C14H11N5O5/c1-9(13-4-2-3-5-15-13)16-17-14(20)10-6-11(18(21)22)8-12(7-10)19(23)24/h2-8H,1H3,(H,17,20)/b16-9-
InChIKeyXZAADFVFTKZGCZ-SXGWCWSVSA-N
XLogP2.05
TPSA140.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(1-pyridin-2-ylethylideneamino)benzamide
CID 872063
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5334715
3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9461008
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 4180611
3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676
N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
CID 5336007
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
3-amino-5-nitro-N-[(E)-[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
CID 171979086
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5335115
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
CID 7124405
4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9215537

Frequently Asked Questions

What is the IUPAC name of 3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The IUPAC name of 3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide (CID 40532157) is 3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide.
What is the SMILES notation for 3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The canonical SMILES for 3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide is C/C(=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccn1.
What is the InChIKey of 3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The InChIKey is XZAADFVFTKZGCZ-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H11N5O5/c1-9(13-4-2-3-5-15-13)16-17-14(20)10-6-11(18(21)22)8-12(7-10)19(23)24/h2-8H,1H3,(H,17,20)/b16-9-.
What are the key properties of 3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide has a molecular weight of 329.27 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide is sourced from PubChem (CID 40532157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).