6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid

C12H15NO3 — CID 105477493

IUPAC6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid
SMILESCCCn1c(C2CC2)ccc(C(=O)O)c1=O
InChIInChI=1S/C12H15NO3/c1-2-7-13-10(8-3-4-8)6-5-9(11(13)14)12(15)16/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyHYONDZLSAVRQHO-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.83
Rot. Bonds4

About 6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid

6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid (PubChem CID 105477493) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid
PubChem CID105477493
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid
SMILESCCCn1c(C2CC2)ccc(C(=O)O)c1=O
InChIInChI=1S/C12H15NO3/c1-2-7-13-10(8-3-4-8)6-5-9(11(13)14)12(15)16/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyHYONDZLSAVRQHO-UHFFFAOYSA-N
XLogP1.83
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-cyclopropyl-2-oxo-1-propylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid?
The IUPAC name of 6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid (CID 105477493) is 6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid is CCCn1c(C2CC2)ccc(C(=O)O)c1=O.
What is the InChIKey of 6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid?
The InChIKey is HYONDZLSAVRQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-7-13-10(8-3-4-8)6-5-9(11(13)14)12(15)16/h5-6,8H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid?
6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid is sourced from PubChem (CID 105477493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).