1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid

C14H19N3O3 — CID 102775345

IUPAC1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCCc1nnc(C)cc1C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-4-11-10(7-9(3)15-16-11)13(18)17-6-5-8(2)12(17)14(19)20/h7-8,12H,4-6H2,1-3H3,(H,19,20)
InChIKeyURPMRFYIJXJEGB-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.28
Rot. Bonds3

About 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid

1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102775345) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102775345
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCCc1nnc(C)cc1C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-4-11-10(7-9(3)15-16-11)13(18)17-6-5-8(2)12(17)14(19)20/h7-8,12H,4-6H2,1-3H3,(H,19,20)
InChIKeyURPMRFYIJXJEGB-UHFFFAOYSA-N
XLogP1.28
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid (CID 102775345) is 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid is CCc1nnc(C)cc1C(=O)N1CCC(C)C1C(=O)O.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is URPMRFYIJXJEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-11-10(7-9(3)15-16-11)13(18)17-6-5-8(2)12(17)14(19)20/h7-8,12H,4-6H2,1-3H3,(H,19,20).
What are the key properties of 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102775345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).