N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide

C22H16N4O4 — CID 9330916

IUPACN'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccn1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H16N4O4/c27-19(24-25-20(28)18-10-3-4-11-23-18)15-7-5-6-14(12-15)13-26-21(29)16-8-1-2-9-17(16)22(26)30/h1-12H,13H2,(H,24,27)(H,25,28)
InChIKeyVXYZMKFPVSENFB-UHFFFAOYSA-N
MW400.39 g/mol
LogP1.95
Rot. Bonds4

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

N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide (PubChem CID 9330916) has the molecular formula C22H16N4O4 and a molecular weight of 400.39 g/mol. Its IUPAC name is N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide
PubChem CID9330916
Molecular FormulaC22H16N4O4
Molecular Weight400.39 g/mol
Exact Mass400.12
IUPAC NameN'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccn1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H16N4O4/c27-19(24-25-20(28)18-10-3-4-11-23-18)15-7-5-6-14(12-15)13-26-21(29)16-8-1-2-9-17(16)22(26)30/h1-12H,13H2,(H,24,27)(H,25,28)
InChIKeyVXYZMKFPVSENFB-UHFFFAOYSA-N
XLogP1.95
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 51.95
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

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414396
3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide
CID 55334448
4-bromo-N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 55406062
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 46651539
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide
CID 51548115
N-[2-(4-chlorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9217155
N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9146369
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 46650963
N'-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carbohydrazide
CID 41096318
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9218396
N-[4-(cyanomethyl)phenyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9260427

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide (CID 9330916) is N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide is O=C(NNC(=O)c1ccccn1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide?
The InChIKey is VXYZMKFPVSENFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O4/c27-19(24-25-20(28)18-10-3-4-11-23-18)15-7-5-6-14(12-15)13-26-21(29)16-8-1-2-9-17(16)22(26)30/h1-12H,13H2,(H,24,27)(H,25,28).
What are the key properties of N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide?
N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide has a molecular weight of 400.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 9330916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).