N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide

C16H15N3O3 — CID 35152458

IUPACN'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide
SMILESO=C(CCC(=O)c1ccccc1)NNC(=O)c1cccnc1
InChIInChI=1S/C16H15N3O3/c20-14(12-5-2-1-3-6-12)8-9-15(21)18-19-16(22)13-7-4-10-17-11-13/h1-7,10-11H,8-9H2,(H,18,21)(H,19,22)
InChIKeyDCMLHQFYDMRAOX-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.51
Rot. Bonds5

About N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide

N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide (PubChem CID 35152458) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide
PubChem CID35152458
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide
SMILESO=C(CCC(=O)c1ccccc1)NNC(=O)c1cccnc1
InChIInChI=1S/C16H15N3O3/c20-14(12-5-2-1-3-6-12)8-9-15(21)18-19-16(22)13-7-4-10-17-11-13/h1-7,10-11H,8-9H2,(H,18,21)(H,19,22)
InChIKeyDCMLHQFYDMRAOX-UHFFFAOYSA-N
XLogP1.51
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.51
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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Related Compounds

N'-dodecanoylpyridine-3-carbohydrazide
CID 171977470
N'-decanoylpyridine-3-carbohydrazide
CID 132992060
N'-[3-(2-chlorophenyl)propanoyl]pyridine-3-carbohydrazide
CID 30944808
N'-[3-(5-phenylfuran-2-yl)propanoyl]pyridine-3-carbohydrazide
CID 51157515
N'-[2-(2-methylphenyl)acetyl]pyridine-3-carbohydrazide
CID 35152193
N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide
CID 4922776
N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide
CID 26641233
4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide
CID 110425632
2-methyl-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 51163103
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
3,3-dimethyl-5-oxo-N,N-diphenyl-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
CID 3968568
4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 35151089

Frequently Asked Questions

What is the IUPAC name of N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide (CID 35152458) is N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide is O=C(CCC(=O)c1ccccc1)NNC(=O)c1cccnc1.
What is the InChIKey of N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide?
The InChIKey is DCMLHQFYDMRAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-14(12-5-2-1-3-6-12)8-9-15(21)18-19-16(22)13-7-4-10-17-11-13/h1-7,10-11H,8-9H2,(H,18,21)(H,19,22).
What are the key properties of N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide?
N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide has a molecular weight of 297.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 35152458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).