6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid

C14H21N3O4 — CID 43170045

IUPAC6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
SMILESCCCn1nc(C(=O)NCCCCCC(=O)O)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-2-10-17-12(18)8-7-11(16-17)14(21)15-9-5-3-4-6-13(19)20/h7-8H,2-6,9-10H2,1H3,(H,15,21)(H,19,20)
InChIKeyGGMCUPWIEALECY-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.03
Rot. Bonds9

About 6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid

6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid (PubChem CID 43170045) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
PubChem CID43170045
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
SMILESCCCn1nc(C(=O)NCCCCCC(=O)O)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-2-10-17-12(18)8-7-11(16-17)14(21)15-9-5-3-4-6-13(19)20/h7-8H,2-6,9-10H2,1H3,(H,15,21)(H,19,20)
InChIKeyGGMCUPWIEALECY-UHFFFAOYSA-N
XLogP1.03
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.03
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

1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
2-methyl-5-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 104681761
4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 43091994
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide
CID 55859833
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927
N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837
4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832412
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
N-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 115699825
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037

Frequently Asked Questions

What is the IUPAC name of 6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid (CID 43170045) is 6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid is CCCn1nc(C(=O)NCCCCCC(=O)O)ccc1=O.
What is the InChIKey of 6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid?
The InChIKey is GGMCUPWIEALECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-2-10-17-12(18)8-7-11(16-17)14(21)15-9-5-3-4-6-13(19)20/h7-8H,2-6,9-10H2,1H3,(H,15,21)(H,19,20).
What are the key properties of 6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid?
6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43170045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).