2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid

C11H14FN3O3 — CID 114034395

IUPAC2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid
SMILESCCN(CC(=O)NC)c1ncc(F)cc1C(=O)O
InChIInChI=1S/C11H14FN3O3/c1-3-15(6-9(16)13-2)10-8(11(17)18)4-7(12)5-14-10/h4-5H,3,6H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyQJCMWMXHUPZABF-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.49
Rot. Bonds5

About 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid

2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid (PubChem CID 114034395) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid
PubChem CID114034395
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid
SMILESCCN(CC(=O)NC)c1ncc(F)cc1C(=O)O
InChIInChI=1S/C11H14FN3O3/c1-3-15(6-9(16)13-2)10-8(11(17)18)4-7(12)5-14-10/h4-5H,3,6H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyQJCMWMXHUPZABF-UHFFFAOYSA-N
XLogP0.49
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid?
The IUPAC name of 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid (CID 114034395) is 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid is CCN(CC(=O)NC)c1ncc(F)cc1C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid?
The InChIKey is QJCMWMXHUPZABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-3-15(6-9(16)13-2)10-8(11(17)18)4-7(12)5-14-10/h4-5H,3,6H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid?
2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 114034395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).