N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide

C16H14N4O3 — CID 5144092

IUPACN'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide
SMILESO=C(NNC1CC(=O)N(c2ccccc2)C1=O)c1cccnc1
InChIInChI=1S/C16H14N4O3/c21-14-9-13(16(23)20(14)12-6-2-1-3-7-12)18-19-15(22)11-5-4-8-17-10-11/h1-8,10,13,18H,9H2,(H,19,22)
InChIKeyATCMNCYWZKFBKD-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.65
Rot. Bonds4

About N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide

N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide (PubChem CID 5144092) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide
PubChem CID5144092
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide
SMILESO=C(NNC1CC(=O)N(c2ccccc2)C1=O)c1cccnc1
InChIInChI=1S/C16H14N4O3/c21-14-9-13(16(23)20(14)12-6-2-1-3-7-12)18-19-15(22)11-5-4-8-17-10-11/h1-8,10,13,18H,9H2,(H,19,22)
InChIKeyATCMNCYWZKFBKD-UHFFFAOYSA-N
XLogP0.65
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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2-(1H-pyrrol-1-yl)benzohydrazide
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Niprofazone
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N-(2-Amino-phenyl)-nicotinamide
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1-Cyclohexyl-3-(pyridine-3-carbonylamino)urea
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Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide?
The IUPAC name of N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide (CID 5144092) is N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide is O=C(NNC1CC(=O)N(c2ccccc2)C1=O)c1cccnc1.
What is the InChIKey of N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide?
The InChIKey is ATCMNCYWZKFBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-14-9-13(16(23)20(14)12-6-2-1-3-7-12)18-19-15(22)11-5-4-8-17-10-11/h1-8,10,13,18H,9H2,(H,19,22).
What are the key properties of N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide?
N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide has a molecular weight of 310.31 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide is sourced from PubChem (CID 5144092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).