1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

C15H21N3O3 — CID 106976953

IUPAC1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)c1cc(C)nnc1C
InChIInChI=1S/C15H21N3O3/c1-4-6-15(14(20)21)7-5-8-18(15)13(19)12-9-10(2)16-17-11(12)3/h9H,4-8H2,1-3H3,(H,20,21)
InChIKeyQBHZPUOMDHSNRY-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.95
Rot. Bonds4

About 1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106976953) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106976953
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)c1cc(C)nnc1C
InChIInChI=1S/C15H21N3O3/c1-4-6-15(14(20)21)7-5-8-18(15)13(19)12-9-10(2)16-17-11(12)3/h9H,4-8H2,1-3H3,(H,20,21)
InChIKeyQBHZPUOMDHSNRY-UHFFFAOYSA-N
XLogP1.95
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977067
2-ethyl-1-(3-ethyl-6-methylpyridazine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 104669960
1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977113
1-(2-fluoro-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977024
1-(2-bromo-5-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977105
1-(2-bromo-4-chlorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107987017
1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107971738
1-(4-bromo-2-chlorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977125
1-(2-chloro-4-fluorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977294
1-(3-chloro-5-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977097
2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 106977186
1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106975988

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106976953) is 1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is QBHZPUOMDHSNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-6-15(14(20)21)7-5-8-18(15)13(19)12-9-10(2)16-17-11(12)3/h9H,4-8H2,1-3H3,(H,20,21).
What are the key properties of 1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106976953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).