6-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)pyridine-3-carboxylic acid

C15H15N3O3 — CID 59136217

IUPAC6-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)pyridine-3-carboxylic acid
SMILESCCC(=O)N1CC2=C(C1)C(c1ccc(C(=O)O)cn1)=NC2
InChIInChI=1S/C15H15N3O3/c1-2-13(19)18-7-10-6-17-14(11(10)8-18)12-4-3-9(5-16-12)15(20)21/h3-5H,2,6-8H2,1H3,(H,20,21)
InChIKeyQSQMUCGNMSMFNP-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.13
Rot. Bonds3

About 6-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)pyridine-3-carboxylic acid

6-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)pyridine-3-carboxylic acid (PubChem CID 59136217) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)pyridine-3-carboxylic acid
PubChem CID59136217
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name6-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)pyridine-3-carboxylic acid
SMILESCCC(=O)N1CC2=C(C1)C(c1ccc(C(=O)O)cn1)=NC2
InChIInChI=1S/C15H15N3O3/c1-2-13(19)18-7-10-6-17-14(11(10)8-18)12-4-3-9(5-16-12)15(20)21/h3-5H,2,6-8H2,1H3,(H,20,21)
InChIKeyQSQMUCGNMSMFNP-UHFFFAOYSA-N
XLogP1.13
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)pyridine-3-carboxylic acid (CID 59136217) is 6-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)pyridine-3-carboxylic acid is CCC(=O)N1CC2=C(C1)C(c1ccc(C(=O)O)cn1)=NC2.
What is the InChIKey of 6-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)pyridine-3-carboxylic acid?
The InChIKey is QSQMUCGNMSMFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-13(19)18-7-10-6-17-14(11(10)8-18)12-4-3-9(5-16-12)15(20)21/h3-5H,2,6-8H2,1H3,(H,20,21).
What are the key properties of 6-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)pyridine-3-carboxylic acid?
6-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)pyridine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 59136217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).