2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid

C15H20N2O3 — CID 82760107

IUPAC2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCCC2(C)C(=O)O)c(C)n1
InChIInChI=1S/C15H20N2O3/c1-9-6-7-11(10(2)16-9)13(18)17-12-5-4-8-15(12,3)14(19)20/h6-7,12H,4-5,8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyARBJBNBGMBQUSX-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.07
Rot. Bonds3

About 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82760107) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82760107
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCCC2(C)C(=O)O)c(C)n1
InChIInChI=1S/C15H20N2O3/c1-9-6-7-11(10(2)16-9)13(18)17-12-5-4-8-15(12,3)14(19)20/h6-7,12H,4-5,8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyARBJBNBGMBQUSX-UHFFFAOYSA-N
XLogP2.07
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82760107) is 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid is Cc1ccc(C(=O)NC2CCCC2(C)C(=O)O)c(C)n1.
What is the InChIKey of 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is ARBJBNBGMBQUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-6-7-11(10(2)16-9)13(18)17-12-5-4-8-15(12,3)14(19)20/h6-7,12H,4-5,8H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82760107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).