4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid

C14H19N3O4 — CID 104669777

IUPAC4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCCc1nnc(C)cc1C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-4-11-9(5-8(2)15-16-11)13(18)17(3)12-7-21-6-10(12)14(19)20/h5,10,12H,4,6-7H2,1-3H3,(H,19,20)
InChIKeyUFNHESNFLZZMCO-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.52
Rot. Bonds4

About 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid

4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 104669777) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID104669777
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCCc1nnc(C)cc1C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-4-11-9(5-8(2)15-16-11)13(18)17(3)12-7-21-6-10(12)14(19)20/h5,10,12H,4,6-7H2,1-3H3,(H,19,20)
InChIKeyUFNHESNFLZZMCO-UHFFFAOYSA-N
XLogP0.52
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121933747
4-[(2,6-Dimethylpyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236147
4-[(2,6-Dimethylpyridine-3-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245838
2-[1-(3,6-Dimethylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657299
2-[1-(3-Ethyl-6-methylpyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657300
N-cyclobutyl-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 102685022
(3,6-Dimethylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738116
(3-Ethyl-6-methylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738607
1-(3,6-Dimethylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775344
1-(3-Ethyl-6-methylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775345
N-cyclobutyl-N-(3-hydroxypropyl)-3,6-dimethylpyridazine-4-carboxamide
CID 102866154
N-cyclobutyl-3-ethyl-N-(3-hydroxypropyl)-6-methylpyridazine-4-carboxamide
CID 102866579

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid (CID 104669777) is 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid is CCc1nnc(C)cc1C(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is UFNHESNFLZZMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-4-11-9(5-8(2)15-16-11)13(18)17(3)12-7-21-6-10(12)14(19)20/h5,10,12H,4,6-7H2,1-3H3,(H,19,20).
What are the key properties of 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid?
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 104669777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).