4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide

C26H29N5O4 — CID 32755900

IUPAC4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)c2ccc(CN3CCCC3=O)cc2)c2ccccc2c1=O
InChIInChI=1S/C26H29N5O4/c1-2-3-6-16-31-26(35)21-9-5-4-8-20(21)23(29-31)25(34)28-27-24(33)19-13-11-18(12-14-19)17-30-15-7-10-22(30)32/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,33)(H,28,34)
InChIKeyVQBUBTRDUMVCJP-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.78
Rot. Bonds8

About 4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide

4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide (PubChem CID 32755900) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is 4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide.

Molecular Properties

Compound Name4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide
PubChem CID32755900
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Name4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)c2ccc(CN3CCCC3=O)cc2)c2ccccc2c1=O
InChIInChI=1S/C26H29N5O4/c1-2-3-6-16-31-26(35)21-9-5-4-8-20(21)23(29-31)25(34)28-27-24(33)19-13-11-18(12-14-19)17-30-15-7-10-22(30)32/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,33)(H,28,34)
InChIKeyVQBUBTRDUMVCJP-UHFFFAOYSA-N
XLogP2.78
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 7995124
3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 2532386
4-oxo-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 9327076
3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide
CID 7536105
N-[4-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]carbamoyl]phenyl]furan-2-carboxamide
CID 27679094
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide
CID 27679074
4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide
CID 24540574
3-butyl-N'-(3-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 2513605
1-[(4-methylphenyl)methyl]-3-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]urea
CID 25493215
N'-[4-(4-chlorophenyl)butanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55788932
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 46535969

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide?
The IUPAC name of 4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide (CID 32755900) is 4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide.
What is the SMILES notation for 4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide?
The canonical SMILES for 4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide is CCCCCn1nc(C(=O)NNC(=O)c2ccc(CN3CCCC3=O)cc2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide?
The InChIKey is VQBUBTRDUMVCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-2-3-6-16-31-26(35)21-9-5-4-8-20(21)23(29-31)25(34)28-27-24(33)19-13-11-18(12-14-19)17-30-15-7-10-22(30)32/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,33)(H,28,34).
What are the key properties of 4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide?
4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide has a molecular weight of 475.55 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide is sourced from PubChem (CID 32755900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).