methyl 6-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoate

C13H21N3O4 — CID 30785624

IUPACmethyl 6-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C13H21N3O4/c1-16-11(17)8-7-10(15-16)13(19)14-9-5-3-4-6-12(18)20-2/h3-9H2,1-2H3,(H,14,19)
InChIKeyFZCXVQPXXDNYDC-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.44
Rot. Bonds7

About methyl 6-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoate

methyl 6-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoate (PubChem CID 30785624) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 6-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoate
PubChem CID30785624
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Namemethyl 6-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C13H21N3O4/c1-16-11(17)8-7-10(15-16)13(19)14-9-5-3-4-6-12(18)20-2/h3-9H2,1-2H3,(H,14,19)
InChIKeyFZCXVQPXXDNYDC-UHFFFAOYSA-N
XLogP0.44
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoate (CID 30785624) is methyl 6-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of methyl 6-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoate?
The InChIKey is FZCXVQPXXDNYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-16-11(17)8-7-10(15-16)13(19)14-9-5-3-4-6-12(18)20-2/h3-9H2,1-2H3,(H,14,19).
What are the key properties of methyl 6-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoate?
methyl 6-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoate has a molecular weight of 283.33 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoate is sourced from PubChem (CID 30785624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).