N'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carbohydrazide

C23H18N4O4 — CID 41096318

IUPACN'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccn1
InChIInChI=1S/C23H18N4O4/c28-20(18-12-6-7-13-24-18)25-26-21(29)19(14-15-8-2-1-3-9-15)27-22(30)16-10-4-5-11-17(16)23(27)31/h1-13,19H,14H2,(H,25,28)(H,26,29)/t19-/m0/s1
InChIKeyASVDFGLCHMUEIS-IBGZPJMESA-N
MW414.42 g/mol
LogP1.75
Rot. Bonds5

About N'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carbohydrazide

N'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carbohydrazide (PubChem CID 41096318) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is N'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carbohydrazide
PubChem CID41096318
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC NameN'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccn1
InChIInChI=1S/C23H18N4O4/c28-20(18-12-6-7-13-24-18)25-26-21(29)19(14-15-8-2-1-3-9-15)27-22(30)16-10-4-5-11-17(16)23(27)31/h1-13,19H,14H2,(H,25,28)(H,26,29)/t19-/m0/s1
InChIKeyASVDFGLCHMUEIS-IBGZPJMESA-N
XLogP1.75
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
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-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carboxamide
CID 102129763
N'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide
CID 2787545
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl chloride
CID 42325650
(2R)-N-(3,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 1189000
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 5024298
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
CID 118343365
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]benzoic acid
CID 1272939
N-(2-aminoethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19739690
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8927721
N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide
CID 9330916
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 6919275
(2R)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 985938

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carbohydrazide (CID 41096318) is N'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carbohydrazide is O=C(NNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccn1.
What is the InChIKey of N'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carbohydrazide?
The InChIKey is ASVDFGLCHMUEIS-IBGZPJMESA-N. The full InChI is InChI=1S/C23H18N4O4/c28-20(18-12-6-7-13-24-18)25-26-21(29)19(14-15-8-2-1-3-9-15)27-22(30)16-10-4-5-11-17(16)23(27)31/h1-13,19H,14H2,(H,25,28)(H,26,29)/t19-/m0/s1.
What are the key properties of N'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carbohydrazide?
N'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carbohydrazide has a molecular weight of 414.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 41096318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).