1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid

C16H19N3O4 — CID 170511227

IUPAC1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(CCc2noc(C3CCCC3)n2)c(=O)c1C(=O)O
InChIInChI=1S/C16H19N3O4/c1-10-6-8-19(15(20)13(10)16(21)22)9-7-12-17-14(23-18-12)11-4-2-3-5-11/h6,8,11H,2-5,7,9H2,1H3,(H,21,22)
InChIKeyKXSLLYBZFMJRIU-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.14
Rot. Bonds5

About 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid

1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 170511227) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID170511227
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(CCc2noc(C3CCCC3)n2)c(=O)c1C(=O)O
InChIInChI=1S/C16H19N3O4/c1-10-6-8-19(15(20)13(10)16(21)22)9-7-12-17-14(23-18-12)11-4-2-3-5-11/h6,8,11H,2-5,7,9H2,1H3,(H,21,22)
InChIKeyKXSLLYBZFMJRIU-UHFFFAOYSA-N
XLogP2.14
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-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

Related Compounds

N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172665894
1-(1,3-benzodioxol-5-ylmethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide
CID 172664857
3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 135113044
1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 82121678
1-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170511243
4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid
CID 170512125
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 90649792
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1,7-dimethylindole-2-carboxamide
CID 72901674
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-hydroxy-3-phenylpropanamide
CID 77087549
3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 163309999
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 50754933
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-phenylsulfanylacetamide
CID 53055557

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid (CID 170511227) is 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccn(CCc2noc(C3CCCC3)n2)c(=O)c1C(=O)O.
What is the InChIKey of 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is KXSLLYBZFMJRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-6-8-19(15(20)13(10)16(21)22)9-7-12-17-14(23-18-12)11-4-2-3-5-11/h6,8,11H,2-5,7,9H2,1H3,(H,21,22).
What are the key properties of 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170511227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).