2-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpentanoic acid

C13H19N3O4 — CID 75428956

IUPAC2-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(=O)n(CC)n1)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-4-8-13(3,12(19)20)14-11(18)9-6-7-10(17)16(5-2)15-9/h6-7H,4-5,8H2,1-3H3,(H,14,18)(H,19,20)
InChIKeyFUNKCVCXKMMYRS-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.64
Rot. Bonds6

About 2-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpentanoic acid

2-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpentanoic acid (PubChem CID 75428956) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpentanoic acid
PubChem CID75428956
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(=O)n(CC)n1)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-4-8-13(3,12(19)20)14-11(18)9-6-7-10(17)16(5-2)15-9/h6-7H,4-5,8H2,1-3H3,(H,14,18)(H,19,20)
InChIKeyFUNKCVCXKMMYRS-UHFFFAOYSA-N
XLogP0.64
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpentanoic acid (CID 75428956) is 2-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1ccc(=O)n(CC)n1)C(=O)O.
What is the InChIKey of 2-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpentanoic acid?
The InChIKey is FUNKCVCXKMMYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-8-13(3,12(19)20)14-11(18)9-6-7-10(17)16(5-2)15-9/h6-7H,4-5,8H2,1-3H3,(H,14,18)(H,19,20).
What are the key properties of 2-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpentanoic acid?
2-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpentanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 75428956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).