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

C16H13ClN4O3 — CID 929792

IUPACN'-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
SMILESO=C(NN[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O)c1ccncc1
InChIInChI=1S/C16H13ClN4O3/c17-11-3-1-2-4-13(11)21-14(22)9-12(16(21)24)19-20-15(23)10-5-7-18-8-6-10/h1-8,12,19H,9H2,(H,20,23)/t12-/m1/s1
InChIKeyHPQOZOACTCGOKJ-GFCCVEGCSA-N
MW344.76 g/mol
LogP1.30
Rot. Bonds4

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

N'-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide (PubChem CID 929792) has the molecular formula C16H13ClN4O3 and a molecular weight of 344.76 g/mol. Its IUPAC name is N'-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
PubChem CID929792
Molecular FormulaC16H13ClN4O3
Molecular Weight344.76 g/mol
Exact Mass344.07
IUPAC NameN'-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
SMILESO=C(NN[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O)c1ccncc1
InChIInChI=1S/C16H13ClN4O3/c17-11-3-1-2-4-13(11)21-14(22)9-12(16(21)24)19-20-15(23)10-5-7-18-8-6-10/h1-8,12,19H,9H2,(H,20,23)/t12-/m1/s1
InChIKeyHPQOZOACTCGOKJ-GFCCVEGCSA-N
XLogP1.30
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 51.30
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-phenoxyphenyl)pyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 4897530
N'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 92693941
N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 686395
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119938
N'-[(3S)-1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1,3-benzodioxole-5-carbohydrazide
CID 2119914
N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 948119
3-[[[(3R)-1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 2119942
N'-[1-(2-fluoro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 43840997
1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844780
N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
CID 4101151
3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119915
N'-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 3768777

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide (CID 929792) is N'-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide is O=C(NN[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O)c1ccncc1.
What is the InChIKey of N'-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide?
The InChIKey is HPQOZOACTCGOKJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H13ClN4O3/c17-11-3-1-2-4-13(11)21-14(22)9-12(16(21)24)19-20-15(23)10-5-7-18-8-6-10/h1-8,12,19H,9H2,(H,20,23)/t12-/m1/s1.
What are the key properties of N'-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide?
N'-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide has a molecular weight of 344.76 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 929792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).