4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid

C10H13N3O4 — CID 43091994

IUPAC4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
SMILESCn1nc(C(=O)NCCCC(=O)O)ccc1=O
InChIInChI=1S/C10H13N3O4/c1-13-8(14)5-4-7(12-13)10(17)11-6-2-3-9(15)16/h4-5H,2-3,6H2,1H3,(H,11,17)(H,15,16)
InChIKeyLXJANXQKAYNCEO-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.63
Rot. Bonds5

About 4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid

4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 43091994) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
PubChem CID43091994
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
SMILESCn1nc(C(=O)NCCCC(=O)O)ccc1=O
InChIInChI=1S/C10H13N3O4/c1-13-8(14)5-4-7(12-13)10(17)11-6-2-3-9(15)16/h4-5H,2-3,6H2,1H3,(H,11,17)(H,15,16)
InChIKeyLXJANXQKAYNCEO-UHFFFAOYSA-N
XLogP-0.63
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.63
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

6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
CID 43170045
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid
CID 65219750
N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 66005592
1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide
CID 90515674
N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 66176866
3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506557
7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid
CID 120524043
N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 37361215
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108
1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide
CID 71805238
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid (CID 43091994) is 4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid is Cn1nc(C(=O)NCCCC(=O)O)ccc1=O.
What is the InChIKey of 4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is LXJANXQKAYNCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-13-8(14)5-4-7(12-13)10(17)11-6-2-3-9(15)16/h4-5H,2-3,6H2,1H3,(H,11,17)(H,15,16).
What are the key properties of 4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid?
4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43091994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).