2,4-dimethyl-6-oxo-1-(2-propylcyclopropyl)pyridine-3-carboxylic acid

C14H19NO3 — CID 114112028

IUPAC2,4-dimethyl-6-oxo-1-(2-propylcyclopropyl)pyridine-3-carboxylic acid
SMILESCCCC1CC1n1c(C)c(C(=O)O)c(C)cc1=O
InChIInChI=1S/C14H19NO3/c1-4-5-10-7-11(10)15-9(3)13(14(17)18)8(2)6-12(15)16/h6,10-11H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyJJDLRJNYLRVABV-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.52
Rot. Bonds4

About 2,4-dimethyl-6-oxo-1-(2-propylcyclopropyl)pyridine-3-carboxylic acid

2,4-dimethyl-6-oxo-1-(2-propylcyclopropyl)pyridine-3-carboxylic acid (PubChem CID 114112028) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-1-(2-propylcyclopropyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-1-(2-propylcyclopropyl)pyridine-3-carboxylic acid
PubChem CID114112028
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2,4-dimethyl-6-oxo-1-(2-propylcyclopropyl)pyridine-3-carboxylic acid
SMILESCCCC1CC1n1c(C)c(C(=O)O)c(C)cc1=O
InChIInChI=1S/C14H19NO3/c1-4-5-10-7-11(10)15-9(3)13(14(17)18)8(2)6-12(15)16/h6,10-11H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyJJDLRJNYLRVABV-UHFFFAOYSA-N
XLogP2.52
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-1-(2-propylcyclopropyl)pyridine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-oxo-1-(2-propylcyclopropyl)pyridine-3-carboxylic acid (CID 114112028) is 2,4-dimethyl-6-oxo-1-(2-propylcyclopropyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-oxo-1-(2-propylcyclopropyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-oxo-1-(2-propylcyclopropyl)pyridine-3-carboxylic acid is CCCC1CC1n1c(C)c(C(=O)O)c(C)cc1=O.
What is the InChIKey of 2,4-dimethyl-6-oxo-1-(2-propylcyclopropyl)pyridine-3-carboxylic acid?
The InChIKey is JJDLRJNYLRVABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-5-10-7-11(10)15-9(3)13(14(17)18)8(2)6-12(15)16/h6,10-11H,4-5,7H2,1-3H3,(H,17,18).
What are the key properties of 2,4-dimethyl-6-oxo-1-(2-propylcyclopropyl)pyridine-3-carboxylic acid?
2,4-dimethyl-6-oxo-1-(2-propylcyclopropyl)pyridine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-1-(2-propylcyclopropyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 114112028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).