N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-2-carboxamide

C14H10N4O5 — CID 5334942

IUPACN-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccn1
InChIInChI=1S/C14H10N4O5/c19-14(10-3-1-2-4-15-10)17-16-7-9-5-12-13(23-8-22-12)6-11(9)18(20)21/h1-7H,8H2,(H,17,19)/b16-7+
InChIKeyDSMGIKJNQWEQFF-FRKPEAEDSA-N
MW314.26 g/mol
LogP1.48
Rot. Bonds4

About N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-2-carboxamide

N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-2-carboxamide (PubChem CID 5334942) has the molecular formula C14H10N4O5 and a molecular weight of 314.26 g/mol. Its IUPAC name is N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-2-carboxamide
PubChem CID5334942
Molecular FormulaC14H10N4O5
Molecular Weight314.26 g/mol
Exact Mass314.07
IUPAC NameN-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccn1
InChIInChI=1S/C14H10N4O5/c19-14(10-3-1-2-4-15-10)17-16-7-9-5-12-13(23-8-22-12)6-11(9)18(20)21/h1-7H,8H2,(H,17,19)/b16-7+
InChIKeyDSMGIKJNQWEQFF-FRKPEAEDSA-N
XLogP1.48
TPSA115.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 51.48
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'}

Analyze N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4,5-dimethoxy-2-nitrobenzylidene)isonicotinohydrazide
CID 9556736
N'-[(1E)-1-(pyridin-3-yl)ethylidene]-1,3-benzodioxole-5-carbohydrazide
CID 9649111
N-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide
CID 2161731
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]pyridine-2-carboxamide
CID 5340764
4-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione
CID 9560894
N'-[(1E)-(7-methoxy-1,3-benzodioxol-5-yl)methylene]pyridine-2-carbohydrazide
CID 9687717
N'-[(7-nitro-1,3-benzodioxol-5-yl)methylene]isonicotinohydrazide
CID 5333683
N'-(1,3-benzodioxol-5-ylmethylene)-6-methyl-2-pyridinecarbohydrazide
CID 6873108
N'-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]pyridine-3-carbohydrazide
CID 6906337
N-{2-[(2E)-2-(1,3-benzodioxol-5-ylmethylene)hydrazino]-2-oxoethyl}pyridine-2-carboxamide
CID 9680828
6-nitro-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 24758246
6-nitro-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 44431302

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-2-carboxamide (CID 5334942) is N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-2-carboxamide is O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccn1.
What is the InChIKey of N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is DSMGIKJNQWEQFF-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H10N4O5/c19-14(10-3-1-2-4-15-10)17-16-7-9-5-12-13(23-8-22-12)6-11(9)18(20)21/h1-7H,8H2,(H,17,19)/b16-7+.
What are the key properties of N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 314.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 5334942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).