N-[1-(aminomethyl)cyclopentyl]-4-oxo-3-pentylphthalazine-1-carboxamide

C20H28N4O2 — CID 119564885

IUPACN-[1-(aminomethyl)cyclopentyl]-4-oxo-3-pentylphthalazine-1-carboxamide
SMILESCCCCCn1nc(C(=O)NC2(CN)CCCC2)c2ccccc2c1=O
InChIInChI=1S/C20H28N4O2/c1-2-3-8-13-24-19(26)16-10-5-4-9-15(16)17(23-24)18(25)22-20(14-21)11-6-7-12-20/h4-5,9-10H,2-3,6-8,11-14,21H2,1H3,(H,22,25)
InChIKeyUQCSMXXGMFJWRB-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.59
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-4-oxo-3-pentylphthalazine-1-carboxamide

N-[1-(aminomethyl)cyclopentyl]-4-oxo-3-pentylphthalazine-1-carboxamide (PubChem CID 119564885) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-oxo-3-pentylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-oxo-3-pentylphthalazine-1-carboxamide
PubChem CID119564885
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-oxo-3-pentylphthalazine-1-carboxamide
SMILESCCCCCn1nc(C(=O)NC2(CN)CCCC2)c2ccccc2c1=O
InChIInChI=1S/C20H28N4O2/c1-2-3-8-13-24-19(26)16-10-5-4-9-15(16)17(23-24)18(25)22-20(14-21)11-6-7-12-20/h4-5,9-10H,2-3,6-8,11-14,21H2,1H3,(H,22,25)
InChIKeyUQCSMXXGMFJWRB-UHFFFAOYSA-N
XLogP2.59
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.59
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-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 119404869
3-butyl-4-oxo-N-pentan-3-ylphthalazine-1-carboxamide
CID 2107725
N-(2-amino-2-ethylbutyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 119639720
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
2-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]propanoic acid
CID 119349081
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
N-(1-adamantylmethyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 7921273
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-pentylphthalazin-1-one;hydrochloride
CID 120810332
N'-(2-butylsulfanylpropanoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55923112
4-oxo-3-pentyl-N-(pyrrolidin-2-ylmethyl)phthalazine-1-carboxamide;hydrochloride
CID 119509836
N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 36577291

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-oxo-3-pentylphthalazine-1-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-oxo-3-pentylphthalazine-1-carboxamide (CID 119564885) is N-[1-(aminomethyl)cyclopentyl]-4-oxo-3-pentylphthalazine-1-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-oxo-3-pentylphthalazine-1-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-oxo-3-pentylphthalazine-1-carboxamide is CCCCCn1nc(C(=O)NC2(CN)CCCC2)c2ccccc2c1=O.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-oxo-3-pentylphthalazine-1-carboxamide?
The InChIKey is UQCSMXXGMFJWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-2-3-8-13-24-19(26)16-10-5-4-9-15(16)17(23-24)18(25)22-20(14-21)11-6-7-12-20/h4-5,9-10H,2-3,6-8,11-14,21H2,1H3,(H,22,25).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-oxo-3-pentylphthalazine-1-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-4-oxo-3-pentylphthalazine-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-oxo-3-pentylphthalazine-1-carboxamide is sourced from PubChem (CID 119564885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).