4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid

C13H19N3O5 — CID 107832412

IUPAC4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCCCCn1nc(C(=O)NCCC(O)C(=O)O)ccc1=O
InChIInChI=1S/C13H19N3O5/c1-2-3-8-16-11(18)5-4-9(15-16)12(19)14-7-6-10(17)13(20)21/h4-5,10,17H,2-3,6-8H2,1H3,(H,14,19)(H,20,21)
InChIKeyHOGKEAFIVULTMY-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.39
Rot. Bonds8

About 4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid

4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid (PubChem CID 107832412) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid
PubChem CID107832412
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCCCCn1nc(C(=O)NCCC(O)C(=O)O)ccc1=O
InChIInChI=1S/C13H19N3O5/c1-2-3-8-16-11(18)5-4-9(15-16)12(19)14-7-6-10(17)13(20)21/h4-5,10,17H,2-3,6-8H2,1H3,(H,14,19)(H,20,21)
InChIKeyHOGKEAFIVULTMY-UHFFFAOYSA-N
XLogP-0.39
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 111471904
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide
CID 103862339
2-methyl-5-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 104681761
1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 115701512
1-butyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 103767607
4-[2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]ethyl]benzoic acid
CID 71894223
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
CID 43170045

Frequently Asked Questions

What is the IUPAC name of 4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid (CID 107832412) is 4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid is CCCCn1nc(C(=O)NCCC(O)C(=O)O)ccc1=O.
What is the InChIKey of 4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid?
The InChIKey is HOGKEAFIVULTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-2-3-8-16-11(18)5-4-9(15-16)12(19)14-7-6-10(17)13(20)21/h4-5,10,17H,2-3,6-8H2,1H3,(H,14,19)(H,20,21).
What are the key properties of 4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid?
4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid has a molecular weight of 297.31 g/mol, XLogP of -0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107832412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).