2-cyclopentyl-1-ethyl-6-oxopyridine-4-carboxylic acid

C13H17NO3 — CID 105496296

IUPAC2-cyclopentyl-1-ethyl-6-oxopyridine-4-carboxylic acid
SMILESCCn1c(C2CCCC2)cc(C(=O)O)cc1=O
InChIInChI=1S/C13H17NO3/c1-2-14-11(9-5-3-4-6-9)7-10(13(16)17)8-12(14)15/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyRFXNIYIIMWCUMP-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.22
Rot. Bonds3

About 2-cyclopentyl-1-ethyl-6-oxopyridine-4-carboxylic acid

2-cyclopentyl-1-ethyl-6-oxopyridine-4-carboxylic acid (PubChem CID 105496296) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-cyclopentyl-1-ethyl-6-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-1-ethyl-6-oxopyridine-4-carboxylic acid
PubChem CID105496296
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-cyclopentyl-1-ethyl-6-oxopyridine-4-carboxylic acid
SMILESCCn1c(C2CCCC2)cc(C(=O)O)cc1=O
InChIInChI=1S/C13H17NO3/c1-2-14-11(9-5-3-4-6-9)7-10(13(16)17)8-12(14)15/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyRFXNIYIIMWCUMP-UHFFFAOYSA-N
XLogP2.22
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid
CID 105496288
2-cyclohexyl-3-deuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid
CID 54759477
1-tert-butyl-6-cyclopropyl-2-oxopyridine-3-carboxylic acid
CID 105496299
3-cyclohexyl-5-ethyl-4-methoxybenzoic acid
CID 21199331
1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanone
CID 105459511
4-cyclohexyl-3,5-dimethoxybenzoic acid
CID 170351500
6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid
CID 105477493
4-[(3R)-1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97196981
2-cyclohexyl-1-ethylindol-5-amine
CID 67284570
4-cyclohexyl-3-ethoxybenzoic acid
CID 163304407
3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid
CID 3022312
5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid
CID 43861105

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-ethyl-6-oxopyridine-4-carboxylic acid?
The IUPAC name of 2-cyclopentyl-1-ethyl-6-oxopyridine-4-carboxylic acid (CID 105496296) is 2-cyclopentyl-1-ethyl-6-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-1-ethyl-6-oxopyridine-4-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-1-ethyl-6-oxopyridine-4-carboxylic acid is CCn1c(C2CCCC2)cc(C(=O)O)cc1=O.
What is the InChIKey of 2-cyclopentyl-1-ethyl-6-oxopyridine-4-carboxylic acid?
The InChIKey is RFXNIYIIMWCUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-14-11(9-5-3-4-6-9)7-10(13(16)17)8-12(14)15/h7-9H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-cyclopentyl-1-ethyl-6-oxopyridine-4-carboxylic acid?
2-cyclopentyl-1-ethyl-6-oxopyridine-4-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-ethyl-6-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 105496296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).