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

C14H21N3O4 — CID 79789283

IUPAC2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid
SMILESCCCCn1nc(C(=O)NC(C)(CC)C(=O)O)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-4-6-9-17-11(18)8-7-10(16-17)12(19)15-14(3,5-2)13(20)21/h7-8H,4-6,9H2,1-3H3,(H,15,19)(H,20,21)
InChIKeyVYBAVGMWYJYDSP-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.03
Rot. Bonds7

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

2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 79789283) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid
PubChem CID79789283
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid
SMILESCCCCn1nc(C(=O)NC(C)(CC)C(=O)O)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-4-6-9-17-11(18)8-7-10(16-17)12(19)15-14(3,5-2)13(20)21/h7-8H,4-6,9H2,1-3H3,(H,15,19)(H,20,21)
InChIKeyVYBAVGMWYJYDSP-UHFFFAOYSA-N
XLogP1.03
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

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Related Compounds

2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43618915
1-butyl-N-[(2-methylpropan-2-yl)oxy]-6-oxopyridazine-3-carboxamide
CID 82724984
(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510
1-butyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide
CID 79246006
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773
4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832412
1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 51213919
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62521741
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 115701512
1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide
CID 115409703

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid (CID 79789283) is 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid is CCCCn1nc(C(=O)NC(C)(CC)C(=O)O)ccc1=O.
What is the InChIKey of 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is VYBAVGMWYJYDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-6-9-17-11(18)8-7-10(16-17)12(19)15-14(3,5-2)13(20)21/h7-8H,4-6,9H2,1-3H3,(H,15,19)(H,20,21).
What are the key properties of 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid?
2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79789283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).