4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid

C13H19N3O4 — CID 119352743

IUPAC4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid
SMILESCCc1n[nH]c(=O)c(C(=O)NCCCC(=O)O)c1CC
InChIInChI=1S/C13H19N3O4/c1-3-8-9(4-2)15-16-13(20)11(8)12(19)14-7-5-6-10(17)18/h3-7H2,1-2H3,(H,14,19)(H,16,20)(H,17,18)
InChIKeyUDNFXVHLZBKPSM-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.49
Rot. Bonds7

About 4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid

4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid (PubChem CID 119352743) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid
PubChem CID119352743
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid
SMILESCCc1n[nH]c(=O)c(C(=O)NCCCC(=O)O)c1CC
InChIInChI=1S/C13H19N3O4/c1-3-8-9(4-2)15-16-13(20)11(8)12(19)14-7-5-6-10(17)18/h3-7H2,1-2H3,(H,14,19)(H,16,20)(H,17,18)
InChIKeyUDNFXVHLZBKPSM-UHFFFAOYSA-N
XLogP0.49
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid
CID 71755942
2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 120528574
3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 71853824
2-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]propanoic acid
CID 119358781
5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 120552216
N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 43428095
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 113439125
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea
CID 71846788
3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide
CID 97059070
4-[(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 119352511
11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid
CID 108793495
4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 119352749

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid (CID 119352743) is 4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid is CCc1n[nH]c(=O)c(C(=O)NCCCC(=O)O)c1CC.
What is the InChIKey of 4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid?
The InChIKey is UDNFXVHLZBKPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-8-9(4-2)15-16-13(20)11(8)12(19)14-7-5-6-10(17)18/h3-7H2,1-2H3,(H,14,19)(H,16,20)(H,17,18).
What are the key properties of 4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid?
4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119352743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).