N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide

C20H20N4O5 — CID 2002874

IUPACN'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide
SMILESCCC(=O)N(NC(=O)c1cccnc1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C20H20N4O5/c1-3-17(25)24(22-19(27)13-5-4-10-21-12-13)16-11-18(26)23(20(16)28)14-6-8-15(29-2)9-7-14/h4-10,12,16H,3,11H2,1-2H3,(H,22,27)/t16-/m0/s1
InChIKeyGGIYBXCGDQORSH-INIZCTEOSA-N
MW396.40 g/mol
LogP1.31
Rot. Bonds5

About N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide

N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide (PubChem CID 2002874) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide
PubChem CID2002874
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC NameN'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide
SMILESCCC(=O)N(NC(=O)c1cccnc1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C20H20N4O5/c1-3-17(25)24(22-19(27)13-5-4-10-21-12-13)16-11-18(26)23(20(16)28)14-6-8-15(29-2)9-7-14/h4-10,12,16H,3,11H2,1-2H3,(H,22,27)/t16-/m0/s1
InChIKeyGGIYBXCGDQORSH-INIZCTEOSA-N
XLogP1.31
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 51.31
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)-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]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide
CID 3896554
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide
CID 5135838
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitro-N'-propanoylbenzohydrazide
CID 3969845
N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide
CID 3465953
N'-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)pyridine-3-carbohydrazide
CID 2029416
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'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide
CID 3406675
N-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 1109187
N'-[1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 3983369
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)-2-phenylacetohydrazide
CID 3916327

Frequently Asked Questions

What is the IUPAC name of N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide?
The IUPAC name of N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide (CID 2002874) is N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide.
What is the SMILES notation for N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide?
The canonical SMILES for N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide is CCC(=O)N(NC(=O)c1cccnc1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O.
What is the InChIKey of N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide?
The InChIKey is GGIYBXCGDQORSH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-3-17(25)24(22-19(27)13-5-4-10-21-12-13)16-11-18(26)23(20(16)28)14-6-8-15(29-2)9-7-14/h4-10,12,16H,3,11H2,1-2H3,(H,22,27)/t16-/m0/s1.
What are the key properties of N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide?
N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide has a molecular weight of 396.40 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide is sourced from PubChem (CID 2002874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).