N'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide

C24H30N4O3 — CID 26854717

IUPACN'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide
SMILESCc1cccc(N2N=C(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)CCC2=O)c1
InChIInChI=1S/C24H30N4O3/c1-15-3-2-4-19(7-15)28-22(30)6-5-20(27-28)23(31)26-25-21(29)14-24-11-16-8-17(12-24)10-18(9-16)13-24/h2-4,7,16-18H,5-6,8-14H2,1H3,(H,25,29)(H,26,31)
InChIKeyHSXUBLBMSBEYAF-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.23
Rot. Bonds4

About N'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide

N'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide (PubChem CID 26854717) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide
PubChem CID26854717
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide
SMILESCc1cccc(N2N=C(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)CCC2=O)c1
InChIInChI=1S/C24H30N4O3/c1-15-3-2-4-19(7-15)28-22(30)6-5-20(27-28)23(31)26-25-21(29)14-24-11-16-8-17(12-24)10-18(9-16)13-24/h2-4,7,16-18H,5-6,8-14H2,1H3,(H,25,29)(H,26,31)
InChIKeyHSXUBLBMSBEYAF-UHFFFAOYSA-N
XLogP3.23
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide (CID 26854717) is N'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide is Cc1cccc(N2N=C(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)CCC2=O)c1.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide?
The InChIKey is HSXUBLBMSBEYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-15-3-2-4-19(7-15)28-22(30)6-5-20(27-28)23(31)26-25-21(29)14-24-11-16-8-17(12-24)10-18(9-16)13-24/h2-4,7,16-18H,5-6,8-14H2,1H3,(H,25,29)(H,26,31).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide?
N'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide has a molecular weight of 422.53 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide is sourced from PubChem (CID 26854717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).