1-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid

C14H15N3O3 — CID 63724192

IUPAC1-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2ccc(C#N)cn2)C1
InChIInChI=1S/C14H15N3O3/c1-2-14(13(19)20)5-6-17(9-14)12(18)11-4-3-10(7-15)8-16-11/h3-4,8H,2,5-6,9H2,1H3,(H,19,20)
InChIKeyGIQCEFIUZUVFEC-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.28
Rot. Bonds3

About 1-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid

1-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 63724192) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID63724192
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2ccc(C#N)cn2)C1
InChIInChI=1S/C14H15N3O3/c1-2-14(13(19)20)5-6-17(9-14)12(18)11-4-3-10(7-15)8-16-11/h3-4,8H,2,5-6,9H2,1H3,(H,19,20)
InChIKeyGIQCEFIUZUVFEC-UHFFFAOYSA-N
XLogP1.28
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
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-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid (CID 63724192) is 1-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)c2ccc(C#N)cn2)C1.
What is the InChIKey of 1-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is GIQCEFIUZUVFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-14(13(19)20)5-6-17(9-14)12(18)11-4-3-10(7-15)8-16-11/h3-4,8H,2,5-6,9H2,1H3,(H,19,20).
What are the key properties of 1-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
1-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 273.29 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-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63724192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).