1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid

C13H19N3O3 — CID 55166159

IUPAC1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C13H19N3O3/c1-3-4-13(12(18)19)5-7-16(9-13)10-11(17)15(2)8-6-14-10/h6,8H,3-5,7,9H2,1-2H3,(H,18,19)
InChIKeyUKQZHRWRHAJRMU-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.86
Rot. Bonds4

About 1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid

1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 55166159) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID55166159
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C13H19N3O3/c1-3-4-13(12(18)19)5-7-16(9-13)10-11(17)15(2)8-6-14-10/h6,8H,3-5,7,9H2,1-2H3,(H,18,19)
InChIKeyUKQZHRWRHAJRMU-UHFFFAOYSA-N
XLogP0.86
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147237
1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 63125995
3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 63136577
1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166350
1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147166
1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 64829459
1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
CID 63126206
1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
CID 66278923
3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 63135534
3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid
CID 63136213
1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid
CID 65417525
3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one
CID 126791326

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid (CID 55166159) is 1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(c2nccn(C)c2=O)C1.
What is the InChIKey of 1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is UKQZHRWRHAJRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-4-13(12(18)19)5-7-16(9-13)10-11(17)15(2)8-6-14-10/h6,8H,3-5,7,9H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55166159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).