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

C15H15N3O2 — CID 846328

IUPACN'-(3-phenylpropanoyl)pyridine-4-carbohydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)c1ccncc1
InChIInChI=1S/C15H15N3O2/c19-14(7-6-12-4-2-1-3-5-12)17-18-15(20)13-8-10-16-11-9-13/h1-5,8-11H,6-7H2,(H,17,19)(H,18,20)
InChIKeyUCFXJLDKRBBVED-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.48
Rot. Bonds4

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

N'-(3-phenylpropanoyl)pyridine-4-carbohydrazide (PubChem CID 846328) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N'-(3-phenylpropanoyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-phenylpropanoyl)pyridine-4-carbohydrazide
PubChem CID846328
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN'-(3-phenylpropanoyl)pyridine-4-carbohydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)c1ccncc1
InChIInChI=1S/C15H15N3O2/c19-14(7-6-12-4-2-1-3-5-12)17-18-15(20)13-8-10-16-11-9-13/h1-5,8-11H,6-7H2,(H,17,19)(H,18,20)
InChIKeyUCFXJLDKRBBVED-UHFFFAOYSA-N
XLogP1.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(3-phenylpropanoyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(3-phenylpropanoyl)pyridine-4-carbohydrazide (CID 846328) is N'-(3-phenylpropanoyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(3-phenylpropanoyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(3-phenylpropanoyl)pyridine-4-carbohydrazide is O=C(CCc1ccccc1)NNC(=O)c1ccncc1.
What is the InChIKey of N'-(3-phenylpropanoyl)pyridine-4-carbohydrazide?
The InChIKey is UCFXJLDKRBBVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-14(7-6-12-4-2-1-3-5-12)17-18-15(20)13-8-10-16-11-9-13/h1-5,8-11H,6-7H2,(H,17,19)(H,18,20).
What are the key properties of N'-(3-phenylpropanoyl)pyridine-4-carbohydrazide?
N'-(3-phenylpropanoyl)pyridine-4-carbohydrazide has a molecular weight of 269.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenylpropanoyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 846328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).