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

C16H12F2N4O3 — CID 92693941

IUPACN'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
SMILESO=C(NN[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O)c1ccncc1
InChIInChI=1S/C16H12F2N4O3/c17-11-2-1-10(7-12(11)18)22-14(23)8-13(16(22)25)20-21-15(24)9-3-5-19-6-4-9/h1-7,13,20H,8H2,(H,21,24)/t13-/m0/s1
InChIKeyDQZJFIPJBRYXJJ-ZDUSSCGKSA-N
MW346.29 g/mol
LogP0.93
Rot. Bonds4

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

N'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide (PubChem CID 92693941) has the molecular formula C16H12F2N4O3 and a molecular weight of 346.29 g/mol. Its IUPAC name is N'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
PubChem CID92693941
Molecular FormulaC16H12F2N4O3
Molecular Weight346.29 g/mol
Exact Mass346.09
IUPAC NameN'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
SMILESO=C(NN[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O)c1ccncc1
InChIInChI=1S/C16H12F2N4O3/c17-11-2-1-10(7-12(11)18)22-14(23)8-13(16(22)25)20-21-15(24)9-3-5-19-6-4-9/h1-7,13,20H,8H2,(H,21,24)/t13-/m0/s1
InChIKeyDQZJFIPJBRYXJJ-ZDUSSCGKSA-N
XLogP0.93
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 50.93
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'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 686395
N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 4897530
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
4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 2447455
N'-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 3768777
N'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 43840997
N'-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide
CID 7643515
N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide
CID 4973642
N'-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzohydrazide
CID 4972953
3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide
CID 3780901
N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide
CID 2119955

Frequently Asked Questions

What is the IUPAC name of N'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide (CID 92693941) is N'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide is O=C(NN[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O)c1ccncc1.
What is the InChIKey of N'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide?
The InChIKey is DQZJFIPJBRYXJJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H12F2N4O3/c17-11-2-1-10(7-12(11)18)22-14(23)8-13(16(22)25)20-21-15(24)9-3-5-19-6-4-9/h1-7,13,20H,8H2,(H,21,24)/t13-/m0/s1.
What are the key properties of N'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide?
N'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide has a molecular weight of 346.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 92693941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).