N'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide

C17H15FN4O3 — CID 43840997

IUPACN'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
SMILESCc1ccc(N2C(=O)CC(NNC(=O)c3cccnc3)C2=O)c(F)c1
InChIInChI=1S/C17H15FN4O3/c1-10-4-5-14(12(18)7-10)22-15(23)8-13(17(22)25)20-21-16(24)11-3-2-6-19-9-11/h2-7,9,13,20H,8H2,1H3,(H,21,24)
InChIKeySPJRVDIQTSCTFX-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.10
Rot. Bonds4

About N'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide

N'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide (PubChem CID 43840997) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is N'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
PubChem CID43840997
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC NameN'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
SMILESCc1ccc(N2C(=O)CC(NNC(=O)c3cccnc3)C2=O)c(F)c1
InChIInChI=1S/C17H15FN4O3/c1-10-4-5-14(12(18)7-10)22-15(23)8-13(17(22)25)20-21-16(24)11-3-2-6-19-9-11/h2-7,9,13,20H,8H2,1H3,(H,21,24)
InChIKeySPJRVDIQTSCTFX-UHFFFAOYSA-N
XLogP1.10
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.10
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

N'-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 3768777
N'-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4,5-trimethoxybenzohydrazide
CID 51579469
N'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 92693941
N'-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzohydrazide
CID 4972953
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-[2,5-dioxo-3-[2-(pyridine-3-carbonyl)hydrazinyl]pyrrolidin-1-yl]benzoate
CID 21168448
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119938
N'-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 929792
N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
CID 55616843
N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 948119
N'-benzoyl-N-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 5115038
N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 4897530
3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119915

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide (CID 43840997) is N'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide is Cc1ccc(N2C(=O)CC(NNC(=O)c3cccnc3)C2=O)c(F)c1.
What is the InChIKey of N'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide?
The InChIKey is SPJRVDIQTSCTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-10-4-5-14(12(18)7-10)22-15(23)8-13(17(22)25)20-21-16(24)11-3-2-6-19-9-11/h2-7,9,13,20H,8H2,1H3,(H,21,24).
What are the key properties of N'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide?
N'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide has a molecular weight of 342.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 43840997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).