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

C12H16N2O3 — CID 66844706

IUPAC1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylic acid
SMILESCNc1cc(C(=O)O)cn(C2CCCC2)c1=O
InChIInChI=1S/C12H16N2O3/c1-13-10-6-8(12(16)17)7-14(11(10)15)9-4-2-3-5-9/h6-7,9,13H,2-5H2,1H3,(H,16,17)
InChIKeyMKMOKACBQQTKMM-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.70
Rot. Bonds3

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

1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylic acid (PubChem CID 66844706) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylic acid
PubChem CID66844706
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylic acid
SMILESCNc1cc(C(=O)O)cn(C2CCCC2)c1=O
InChIInChI=1S/C12H16N2O3/c1-13-10-6-8(12(16)17)7-14(11(10)15)9-4-2-3-5-9/h6-7,9,13H,2-5H2,1H3,(H,16,17)
InChIKeyMKMOKACBQQTKMM-UHFFFAOYSA-N
XLogP1.70
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylic acid (CID 66844706) is 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylic acid is CNc1cc(C(=O)O)cn(C2CCCC2)c1=O.
What is the InChIKey of 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylic acid?
The InChIKey is MKMOKACBQQTKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13-10-6-8(12(16)17)7-14(11(10)15)9-4-2-3-5-9/h6-7,9,13H,2-5H2,1H3,(H,16,17).
What are the key properties of 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylic acid?
1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 66844706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).