N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide

C17H24N4O2 — CID 119404869

IUPACN-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
SMILESCCCCCn1nc(C(=O)NCCCN)c2ccccc2c1=O
InChIInChI=1S/C17H24N4O2/c1-2-3-6-12-21-17(23)14-9-5-4-8-13(14)15(20-21)16(22)19-11-7-10-18/h4-5,8-9H,2-3,6-7,10-12,18H2,1H3,(H,19,22)
InChIKeyHGBGIWUMGUTHGJ-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.67
Rot. Bonds8

About N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide

N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide (PubChem CID 119404869) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
PubChem CID119404869
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
SMILESCCCCCn1nc(C(=O)NCCCN)c2ccccc2c1=O
InChIInChI=1S/C17H24N4O2/c1-2-3-6-12-21-17(23)14-9-5-4-8-13(14)15(20-21)16(22)19-11-7-10-18/h4-5,8-9H,2-3,6-7,10-12,18H2,1H3,(H,19,22)
InChIKeyHGBGIWUMGUTHGJ-UHFFFAOYSA-N
XLogP1.67
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)-3-oxopropyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55737255
N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 9460938
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-(1-amino-4-methylpentan-2-yl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 119585481
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
N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide
CID 46652418
4-oxo-3-pentyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]phthalazine-1-carboxamide
CID 46545559

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide (CID 119404869) is N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide is CCCCCn1nc(C(=O)NCCCN)c2ccccc2c1=O.
What is the InChIKey of N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide?
The InChIKey is HGBGIWUMGUTHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-2-3-6-12-21-17(23)14-9-5-4-8-13(14)15(20-21)16(22)19-11-7-10-18/h4-5,8-9H,2-3,6-7,10-12,18H2,1H3,(H,19,22).
What are the key properties of N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide?
N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide is sourced from PubChem (CID 119404869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).