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

C25H21ClN4O5 — CID 3983480

IUPACN'-(4-chlorobenzoyl)-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
SMILESCOc1ccc(C)cc1N1C(=O)CC(N(NC(=O)c2ccncc2)C(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C25H21ClN4O5/c1-15-3-8-21(35-2)19(13-15)29-22(31)14-20(25(29)34)30(24(33)17-4-6-18(26)7-5-17)28-23(32)16-9-11-27-12-10-16/h3-13,20H,14H2,1-2H3,(H,28,32)
InChIKeyXUHYUABEVOCRQO-UHFFFAOYSA-N
MW492.92 g/mol
LogP3.17
Rot. Bonds5

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

N'-(4-chlorobenzoyl)-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide (PubChem CID 3983480) has the molecular formula C25H21ClN4O5 and a molecular weight of 492.92 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
PubChem CID3983480
Molecular FormulaC25H21ClN4O5
Molecular Weight492.92 g/mol
Exact Mass492.12
IUPAC NameN'-(4-chlorobenzoyl)-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
SMILESCOc1ccc(C)cc1N1C(=O)CC(N(NC(=O)c2ccncc2)C(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C25H21ClN4O5/c1-15-3-8-21(35-2)19(13-15)29-22(31)14-20(25(29)34)30(24(33)17-4-6-18(26)7-5-17)28-23(32)16-9-11-27-12-10-16/h3-13,20H,14H2,1-2H3,(H,28,32)
InChIKeyXUHYUABEVOCRQO-UHFFFAOYSA-N
XLogP3.17
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.92
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'-acetyl-N'-[1-(2,5-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzohydrazide
CID 5019234
N'-acetyl-N'-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 3631876
N-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 3350387
N'-benzoyl-N-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 5115038
N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide
CID 3406675
N'-benzoyl-4-methoxy-N'-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3894788
N'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide
CID 3749099
N'-benzoyl-N'-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3255352
N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitro-N'-propanoylbenzohydrazide
CID 3322181
N'-acetyl-N'-[1-(3,5-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzohydrazide
CID 4558905
3,4-dimethoxy-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)benzohydrazide
CID 3425766
N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoylpyridine-4-carbohydrazide
CID 3288338

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide (CID 3983480) is N'-(4-chlorobenzoyl)-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide is COc1ccc(C)cc1N1C(=O)CC(N(NC(=O)c2ccncc2)C(=O)c2ccc(Cl)cc2)C1=O.
What is the InChIKey of N'-(4-chlorobenzoyl)-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide?
The InChIKey is XUHYUABEVOCRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O5/c1-15-3-8-21(35-2)19(13-15)29-22(31)14-20(25(29)34)30(24(33)17-4-6-18(26)7-5-17)28-23(32)16-9-11-27-12-10-16/h3-13,20H,14H2,1-2H3,(H,28,32).
What are the key properties of N'-(4-chlorobenzoyl)-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide?
N'-(4-chlorobenzoyl)-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide has a molecular weight of 492.92 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 3983480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).