3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide

C22H19N3O4 — CID 2119946

IUPAC3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide
SMILESCc1ccc(N2C(=O)C[C@H](NNC(=O)c3cc4ccccc4cc3O)C2=O)cc1
InChIInChI=1S/C22H19N3O4/c1-13-6-8-16(9-7-13)25-20(27)12-18(22(25)29)23-24-21(28)17-10-14-4-2-3-5-15(14)11-19(17)26/h2-11,18,23,26H,12H2,1H3,(H,24,28)/t18-/m0/s1
InChIKeyHLSALYVSBDVKIB-SFHVURJKSA-N
MW389.41 g/mol
LogP2.42
Rot. Bonds4

About 3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide

3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide (PubChem CID 2119946) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide.

Molecular Properties

Compound Name3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide
PubChem CID2119946
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide
SMILESCc1ccc(N2C(=O)C[C@H](NNC(=O)c3cc4ccccc4cc3O)C2=O)cc1
InChIInChI=1S/C22H19N3O4/c1-13-6-8-16(9-7-13)25-20(27)12-18(22(25)29)23-24-21(28)17-10-14-4-2-3-5-15(14)11-19(17)26/h2-11,18,23,26H,12H2,1H3,(H,24,28)/t18-/m0/s1
InChIKeyHLSALYVSBDVKIB-SFHVURJKSA-N
XLogP2.42
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.42
H-Bond Donors ≤ 53
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

2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 1213098
3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide
CID 4836158
2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 7299451
2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43826781
[2-oxo-2-(4-phenylphenyl)ethyl] 4-[3-[2-(naphthalene-2-carbonyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21171413
N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide
CID 1120118
3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 7641357
3,4-dimethoxy-N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 4896092
N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide
CID 2119955
N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-2-methoxybenzohydrazide
CID 3480089
2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43826786
N'-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzohydrazide
CID 4972953

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide?
The IUPAC name of 3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide (CID 2119946) is 3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide.
What is the SMILES notation for 3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide?
The canonical SMILES for 3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide is Cc1ccc(N2C(=O)C[C@H](NNC(=O)c3cc4ccccc4cc3O)C2=O)cc1.
What is the InChIKey of 3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide?
The InChIKey is HLSALYVSBDVKIB-SFHVURJKSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-13-6-8-16(9-7-13)25-20(27)12-18(22(25)29)23-24-21(28)17-10-14-4-2-3-5-15(14)11-19(17)26/h2-11,18,23,26H,12H2,1H3,(H,24,28)/t18-/m0/s1.
What are the key properties of 3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide?
3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide has a molecular weight of 389.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide is sourced from PubChem (CID 2119946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).