1-cyclopentyl-5-(dimethylamino)-6-oxopyridine-3-carboxylic acid

C13H18N2O3 — CID 66845073

IUPAC1-cyclopentyl-5-(dimethylamino)-6-oxopyridine-3-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)cn(C2CCCC2)c1=O
InChIInChI=1S/C13H18N2O3/c1-14(2)11-7-9(13(17)18)8-15(12(11)16)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,17,18)
InChIKeyJEOMYAYYMPSXQZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.73
Rot. Bonds3

About 1-cyclopentyl-5-(dimethylamino)-6-oxopyridine-3-carboxylic acid

1-cyclopentyl-5-(dimethylamino)-6-oxopyridine-3-carboxylic acid (PubChem CID 66845073) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-cyclopentyl-5-(dimethylamino)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-5-(dimethylamino)-6-oxopyridine-3-carboxylic acid
PubChem CID66845073
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-cyclopentyl-5-(dimethylamino)-6-oxopyridine-3-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)cn(C2CCCC2)c1=O
InChIInChI=1S/C13H18N2O3/c1-14(2)11-7-9(13(17)18)8-15(12(11)16)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,17,18)
InChIKeyJEOMYAYYMPSXQZ-UHFFFAOYSA-N
XLogP1.73
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(dimethylamino)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-cyclopentyl-5-(dimethylamino)-6-oxopyridine-3-carboxylic acid (CID 66845073) is 1-cyclopentyl-5-(dimethylamino)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-5-(dimethylamino)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-5-(dimethylamino)-6-oxopyridine-3-carboxylic acid is CN(C)c1cc(C(=O)O)cn(C2CCCC2)c1=O.
What is the InChIKey of 1-cyclopentyl-5-(dimethylamino)-6-oxopyridine-3-carboxylic acid?
The InChIKey is JEOMYAYYMPSXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14(2)11-7-9(13(17)18)8-15(12(11)16)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 1-cyclopentyl-5-(dimethylamino)-6-oxopyridine-3-carboxylic acid?
1-cyclopentyl-5-(dimethylamino)-6-oxopyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(dimethylamino)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 66845073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).