4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide

C22H25N5O3 — CID 60599880

IUPAC4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)CCc2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C22H25N5O3/c1-2-3-8-15-27-22(30)18-11-5-4-10-17(18)20(26-27)21(29)25-24-19(28)13-12-16-9-6-7-14-23-16/h4-7,9-11,14H,2-3,8,12-13,15H2,1H3,(H,24,28)(H,25,29)
InChIKeyYRJDAVDEYJNUHA-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.38
Rot. Bonds8

About 4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide

4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide (PubChem CID 60599880) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide
PubChem CID60599880
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)CCc2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C22H25N5O3/c1-2-3-8-15-27-22(30)18-11-5-4-10-17(18)20(26-27)21(29)25-24-19(28)13-12-16-9-6-7-14-23-16/h4-7,9-11,14H,2-3,8,12-13,15H2,1H3,(H,24,28)(H,25,29)
InChIKeyYRJDAVDEYJNUHA-UHFFFAOYSA-N
XLogP2.38
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.38
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

N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24586065
N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 41453316
N'-[4-(4-chlorophenyl)butanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55788932
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189
3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide
CID 7536105
N'-(3-methyl-3-phenylbutanoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 60596220
N'-[3-(2,3-dichlorophenoxy)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55788848
N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55678680
4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide
CID 55428038
4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide
CID 27679074
4-oxo-3-pentyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutanoyl]phthalazine-1-carbohydrazide
CID 26006941

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide?
The IUPAC name of 4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide (CID 60599880) is 4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide.
What is the SMILES notation for 4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide?
The canonical SMILES for 4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide is CCCCCn1nc(C(=O)NNC(=O)CCc2ccccn2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide?
The InChIKey is YRJDAVDEYJNUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-2-3-8-15-27-22(30)18-11-5-4-10-17(18)20(26-27)21(29)25-24-19(28)13-12-16-9-6-7-14-23-16/h4-7,9-11,14H,2-3,8,12-13,15H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide?
4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide has a molecular weight of 407.47 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide is sourced from PubChem (CID 60599880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).