N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide

C20H25N5O2 — CID 9460938

IUPACN-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
SMILESCCCCCn1nc(C(=O)NCCCn2ccnc2)c2ccccc2c1=O
InChIInChI=1S/C20H25N5O2/c1-2-3-6-13-25-20(27)17-9-5-4-8-16(17)18(23-25)19(26)22-10-7-12-24-14-11-21-15-24/h4-5,8-9,11,14-15H,2-3,6-7,10,12-13H2,1H3,(H,22,26)
InChIKeyFQVVXWOROASTLX-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.60
Rot. Bonds9

About N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide

N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide (PubChem CID 9460938) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
PubChem CID9460938
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
SMILESCCCCCn1nc(C(=O)NCCCn2ccnc2)c2ccccc2c1=O
InChIInChI=1S/C20H25N5O2/c1-2-3-6-13-25-20(27)17-9-5-4-8-16(17)18(23-25)19(26)22-10-7-12-24-14-11-21-15-24/h4-5,8-9,11,14-15H,2-3,6-7,10,12-13H2,1H3,(H,22,26)
InChIKeyFQVVXWOROASTLX-UHFFFAOYSA-N
XLogP2.60
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 119404869
N-[3-(dimethylamino)-3-oxopropyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55737255
4-oxo-3-pentyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]phthalazine-1-carboxamide
CID 46545559
N-(2-amino-2-ethylbutyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 119639720
4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide
CID 55483560
N-(2-amino-2-ethylbutyl)-4-oxo-3-pentylphthalazine-1-carboxamide;hydrochloride
CID 119639719
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
3-butyl-4-oxo-N-pentan-3-ylphthalazine-1-carboxamide
CID 2107725
N-[2-(4-nitroanilino)ethyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55408070
3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide
CID 7536105
N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide
CID 46652418

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide (CID 9460938) is N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide is CCCCCn1nc(C(=O)NCCCn2ccnc2)c2ccccc2c1=O.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide?
The InChIKey is FQVVXWOROASTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-2-3-6-13-25-20(27)17-9-5-4-8-16(17)18(23-25)19(26)22-10-7-12-24-14-11-21-15-24/h4-5,8-9,11,14-15H,2-3,6-7,10,12-13H2,1H3,(H,22,26).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide?
N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide is sourced from PubChem (CID 9460938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).