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

C22H24N4O5 — CID 3896554

IUPACN'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide
SMILESCCOc1ccc(N2C(=O)CC(N(NC(=O)c3cccnc3)C(=O)C(C)C)C2=O)cc1
InChIInChI=1S/C22H24N4O5/c1-4-31-17-9-7-16(8-10-17)25-19(27)12-18(22(25)30)26(21(29)14(2)3)24-20(28)15-6-5-11-23-13-15/h5-11,13-14,18H,4,12H2,1-3H3,(H,24,28)
InChIKeyVKZSKDNGIYFKAS-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.94
Rot. Bonds6

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

N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide (PubChem CID 3896554) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide
PubChem CID3896554
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC NameN'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide
SMILESCCOc1ccc(N2C(=O)CC(N(NC(=O)c3cccnc3)C(=O)C(C)C)C2=O)cc1
InChIInChI=1S/C22H24N4O5/c1-4-31-17-9-7-16(8-10-17)25-19(27)12-18(22(25)30)26(21(29)14(2)3)24-20(28)15-6-5-11-23-13-15/h5-11,13-14,18H,4,12H2,1-3H3,(H,24,28)
InChIKeyVKZSKDNGIYFKAS-UHFFFAOYSA-N
XLogP1.94
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.94
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'-[(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'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide
CID 2002874
N'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide
CID 2026677
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 23972707
N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 4242541
3,4-dimethoxy-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)benzohydrazide
CID 3425766
3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-[(2R)-2-methylbutanoyl]benzohydrazide
CID 27892722
N'-but-2-enoyl-N'-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 3639291
N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)pyridine-4-carbohydrazide
CID 5115041
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide
CID 4234752
N'-acetyl-N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-1-yloxyacetohydrazide
CID 3472107

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide (CID 3896554) is N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide is CCOc1ccc(N2C(=O)CC(N(NC(=O)c3cccnc3)C(=O)C(C)C)C2=O)cc1.
What is the InChIKey of N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide?
The InChIKey is VKZSKDNGIYFKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-4-31-17-9-7-16(8-10-17)25-19(27)12-18(22(25)30)26(21(29)14(2)3)24-20(28)15-6-5-11-23-13-15/h5-11,13-14,18H,4,12H2,1-3H3,(H,24,28).
What are the key properties of N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide?
N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide has a molecular weight of 424.46 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 3896554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).