N'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide

C22H24N4O4 — CID 2026677

IUPACN'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide
SMILESCCC(=O)N(NC(=O)c1cccnc1)[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C22H24N4O4/c1-4-19(27)26(24-21(29)16-6-5-11-23-13-16)18-12-20(28)25(22(18)30)17-9-7-15(8-10-17)14(2)3/h5-11,13-14,18H,4,12H2,1-3H3,(H,24,29)/t18-/m1/s1
InChIKeyALRFNPJWWSENQA-GOSISDBHSA-N
MW408.46 g/mol
LogP2.42
Rot. Bonds5

About N'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide

N'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide (PubChem CID 2026677) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide
PubChem CID2026677
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide
SMILESCCC(=O)N(NC(=O)c1cccnc1)[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C22H24N4O4/c1-4-19(27)26(24-21(29)16-6-5-11-23-13-16)18-12-20(28)25(22(18)30)17-9-7-15(8-10-17)14(2)3/h5-11,13-14,18H,4,12H2,1-3H3,(H,24,29)/t18-/m1/s1
InChIKeyALRFNPJWWSENQA-GOSISDBHSA-N
XLogP2.42
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.42
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'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide
CID 2002874
N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide
CID 3896554
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'-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 3768777
N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 4242541
N'-but-2-enoyl-N'-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 3639291
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitro-N'-propanoylbenzohydrazide
CID 3969845
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide
CID 5135838
N'-[1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 3983369
N'-benzoyl-N-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 5115038
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'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide?
The IUPAC name of N'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide (CID 2026677) is N'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide.
What is the SMILES notation for N'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide?
The canonical SMILES for N'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide is CCC(=O)N(NC(=O)c1cccnc1)[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of N'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide?
The InChIKey is ALRFNPJWWSENQA-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-4-19(27)26(24-21(29)16-6-5-11-23-13-16)18-12-20(28)25(22(18)30)17-9-7-15(8-10-17)14(2)3/h5-11,13-14,18H,4,12H2,1-3H3,(H,24,29)/t18-/m1/s1.
What are the key properties of N'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide?
N'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide has a molecular weight of 408.46 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide is sourced from PubChem (CID 2026677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).