N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide

C20H17N3O3 — CID 9077512

IUPACN'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide
SMILESO=C(Cn1ccccc1=O)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H17N3O3/c24-18(14-23-13-5-4-8-19(23)25)21-22-20(26)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-13H,14H2,(H,21,24)(H,22,26)
InChIKeyPCHNVMZLYCLGEB-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.98
Rot. Bonds4

About N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide

N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide (PubChem CID 9077512) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide
PubChem CID9077512
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide
SMILESO=C(Cn1ccccc1=O)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H17N3O3/c24-18(14-23-13-5-4-8-19(23)25)21-22-20(26)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-13H,14H2,(H,21,24)(H,22,26)
InChIKeyPCHNVMZLYCLGEB-UHFFFAOYSA-N
XLogP1.98
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide?
The IUPAC name of N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide (CID 9077512) is N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide.
What is the SMILES notation for N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide?
The canonical SMILES for N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide is O=C(Cn1ccccc1=O)NNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide?
The InChIKey is PCHNVMZLYCLGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-18(14-23-13-5-4-8-19(23)25)21-22-20(26)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-13H,14H2,(H,21,24)(H,22,26).
What are the key properties of N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide?
N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide has a molecular weight of 347.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide is sourced from PubChem (CID 9077512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).