3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide

C15H13N5O5 — CID 27662135

IUPAC3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccn1
InChIInChI=1S/C15H13N5O5/c21-13(18-19-15(23)12-6-1-2-7-16-12)9-17-14(22)10-4-3-5-11(8-10)20(24)25/h1-8H,9H2,(H,17,22)(H,18,21)(H,19,23)
InChIKeyWUAOFMZPAONKHI-UHFFFAOYSA-N
MW343.30 g/mol
LogP0.18
Rot. Bonds5

About 3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide

3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide (PubChem CID 27662135) has the molecular formula C15H13N5O5 and a molecular weight of 343.30 g/mol. Its IUPAC name is 3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide
PubChem CID27662135
Molecular FormulaC15H13N5O5
Molecular Weight343.30 g/mol
Exact Mass343.09
IUPAC Name3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccn1
InChIInChI=1S/C15H13N5O5/c21-13(18-19-15(23)12-6-1-2-7-16-12)9-17-14(22)10-4-3-5-11(8-10)20(24)25/h1-8H,9H2,(H,17,22)(H,18,21)(H,19,23)
InChIKeyWUAOFMZPAONKHI-UHFFFAOYSA-N
XLogP0.18
TPSA143.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide?
The IUPAC name of 3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide (CID 27662135) is 3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide is O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccn1.
What is the InChIKey of 3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide?
The InChIKey is WUAOFMZPAONKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O5/c21-13(18-19-15(23)12-6-1-2-7-16-12)9-17-14(22)10-4-3-5-11(8-10)20(24)25/h1-8H,9H2,(H,17,22)(H,18,21)(H,19,23).
What are the key properties of 3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide?
3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide has a molecular weight of 343.30 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 27662135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).