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

C23H16Cl2N4O4 — CID 4242541

IUPACN'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
SMILESO=C(NN(C(=O)c1ccccc1)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1cccnc1
InChIInChI=1S/C23H16Cl2N4O4/c24-17-9-8-16(11-18(17)25)28-20(30)12-19(23(28)33)29(22(32)14-5-2-1-3-6-14)27-21(31)15-7-4-10-26-13-15/h1-11,13,19H,12H2,(H,27,31)
InChIKeyMCRMMQRIQBLGNF-UHFFFAOYSA-N
MW483.31 g/mol
LogP3.51
Rot. Bonds4

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

N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide (PubChem CID 4242541) has the molecular formula C23H16Cl2N4O4 and a molecular weight of 483.31 g/mol. Its IUPAC name is N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
PubChem CID4242541
Molecular FormulaC23H16Cl2N4O4
Molecular Weight483.31 g/mol
Exact Mass482.05
IUPAC NameN'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
SMILESO=C(NN(C(=O)c1ccccc1)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1cccnc1
InChIInChI=1S/C23H16Cl2N4O4/c24-17-9-8-16(11-18(17)25)28-20(30)12-19(23(28)33)29(22(32)14-5-2-1-3-6-14)27-21(31)15-7-4-10-26-13-15/h1-11,13,19H,12H2,(H,27,31)
InChIKeyMCRMMQRIQBLGNF-UHFFFAOYSA-N
XLogP3.51
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
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'-benzoyl-N-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 5115038
N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoylpyridine-4-carbohydrazide
CID 3288338
N'-but-2-enoyl-N'-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 3639291
N'-benzoyl-N'-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3255352
N'-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide
CID 2029416
N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide
CID 3465953
N'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide
CID 2026677
N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide
CID 2002874
N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoyl-2-fluorobenzohydrazide
CID 4208372
N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide
CID 3896554
N'-benzoyl-4-methoxy-N'-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3894788
N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)pyridine-4-carbohydrazide
CID 5115041

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide (CID 4242541) is N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide is O=C(NN(C(=O)c1ccccc1)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1cccnc1.
What is the InChIKey of N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide?
The InChIKey is MCRMMQRIQBLGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N4O4/c24-17-9-8-16(11-18(17)25)28-20(30)12-19(23(28)33)29(22(32)14-5-2-1-3-6-14)27-21(31)15-7-4-10-26-13-15/h1-11,13,19H,12H2,(H,27,31).
What are the key properties of N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide?
N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide has a molecular weight of 483.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 4242541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).