3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid

C14H19N3O4 — CID 63146321

IUPAC3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1nn(C)c(=O)c(C(=O)N2CCC(C)(C(=O)O)C2)c1C
InChIInChI=1S/C14H19N3O4/c1-8-9(2)15-16(4)11(18)10(8)12(19)17-6-5-14(3,7-17)13(20)21/h5-7H2,1-4H3,(H,20,21)
InChIKeyKMPBGNRVPQKWBZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.33
Rot. Bonds2

About 3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63146321) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63146321
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1nn(C)c(=O)c(C(=O)N2CCC(C)(C(=O)O)C2)c1C
InChIInChI=1S/C14H19N3O4/c1-8-9(2)15-16(4)11(18)10(8)12(19)17-6-5-14(3,7-17)13(20)21/h5-7H2,1-4H3,(H,20,21)
InChIKeyKMPBGNRVPQKWBZ-UHFFFAOYSA-N
XLogP0.33
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-hydroxy-4-methylazepane-1-carbonyl)-2,5,6-trimethylpyridazin-3-one
CID 107406195
4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one
CID 119032856
(3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124694636
(3R)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 99608759
(3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124696891
3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529180
1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid
CID 63757663
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166142
(3S)-1-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125149724
3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 114040074
(3S)-3-methyl-1-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 124682748

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 63146321) is 3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid is Cc1nn(C)c(=O)c(C(=O)N2CCC(C)(C(=O)O)C2)c1C.
What is the InChIKey of 3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is KMPBGNRVPQKWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8-9(2)15-16(4)11(18)10(8)12(19)17-6-5-14(3,7-17)13(20)21/h5-7H2,1-4H3,(H,20,21).
What are the key properties of 3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).