N'-(3-nitrobenzoyl)pyridine-4-carbohydrazide

C13H10N4O4 — CID 3121279

IUPACN'-(3-nitrobenzoyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1
InChIInChI=1S/C13H10N4O4/c18-12(9-4-6-14-7-5-9)15-16-13(19)10-2-1-3-11(8-10)17(20)21/h1-8H,(H,15,18)(H,16,19)
InChIKeySTZPEMQQGNHVKW-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.06
Rot. Bonds3

About N'-(3-nitrobenzoyl)pyridine-4-carbohydrazide

N'-(3-nitrobenzoyl)pyridine-4-carbohydrazide (PubChem CID 3121279) has the molecular formula C13H10N4O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is N'-(3-nitrobenzoyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-nitrobenzoyl)pyridine-4-carbohydrazide
PubChem CID3121279
Molecular FormulaC13H10N4O4
Molecular Weight286.25 g/mol
Exact Mass286.07
IUPAC NameN'-(3-nitrobenzoyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1
InChIInChI=1S/C13H10N4O4/c18-12(9-4-6-14-7-5-9)15-16-13(19)10-2-1-3-11(8-10)17(20)21/h1-8H,(H,15,18)(H,16,19)
InChIKeySTZPEMQQGNHVKW-UHFFFAOYSA-N
XLogP1.06
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(3-nitrobenzoyl)pyridine-4-carbohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-nitrobenzoyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(3-nitrobenzoyl)pyridine-4-carbohydrazide (CID 3121279) is N'-(3-nitrobenzoyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(3-nitrobenzoyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(3-nitrobenzoyl)pyridine-4-carbohydrazide is O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1.
What is the InChIKey of N'-(3-nitrobenzoyl)pyridine-4-carbohydrazide?
The InChIKey is STZPEMQQGNHVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4/c18-12(9-4-6-14-7-5-9)15-16-13(19)10-2-1-3-11(8-10)17(20)21/h1-8H,(H,15,18)(H,16,19).
What are the key properties of N'-(3-nitrobenzoyl)pyridine-4-carbohydrazide?
N'-(3-nitrobenzoyl)pyridine-4-carbohydrazide has a molecular weight of 286.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-nitrobenzoyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 3121279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).