2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid

C13H19N3O5 — CID 81085336

IUPAC2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)c1c(C)c(C)n[nH]c1=O)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-7-8(2)15-16-12(18)10(7)11(17)14-9(13(19)20)5-4-6-21-3/h9H,4-6H2,1-3H3,(H,14,17)(H,16,18)(H,19,20)
InChIKeyBILDCBPDVTVFNH-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.00
Rot. Bonds7

About 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid

2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid (PubChem CID 81085336) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid
PubChem CID81085336
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)c1c(C)c(C)n[nH]c1=O)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-7-8(2)15-16-12(18)10(7)11(17)14-9(13(19)20)5-4-6-21-3/h9H,4-6H2,1-3H3,(H,14,17)(H,16,18)(H,19,20)
InChIKeyBILDCBPDVTVFNH-UHFFFAOYSA-N
XLogP-0.00
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid
CID 43630854
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357881
(2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid
CID 63715213
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid
CID 81085835
3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid
CID 106107384
(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820399
5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid
CID 81076977
N-(1-hydroxy-4-methylpentan-3-yl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 103782323
2-[(3,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076564
5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 81077151
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid
CID 65286168

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid (CID 81085336) is 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid is COCCCC(NC(=O)c1c(C)c(C)n[nH]c1=O)C(=O)O.
What is the InChIKey of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid?
The InChIKey is BILDCBPDVTVFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-7-8(2)15-16-12(18)10(7)11(17)14-9(13(19)20)5-4-6-21-3/h9H,4-6H2,1-3H3,(H,14,17)(H,16,18)(H,19,20).
What are the key properties of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid?
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid has a molecular weight of 297.31 g/mol, XLogP of -0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81085336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).