6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid

C11H14FN3O3 — CID 122057196

IUPAC6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCC(Nc1cccc(C(=O)O)n1)C(=O)NCCF
InChIInChI=1S/C11H14FN3O3/c1-7(10(16)13-6-5-12)14-9-4-2-3-8(15-9)11(17)18/h2-4,7H,5-6H2,1H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyIQDAROGVBSWPSO-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.67
Rot. Bonds6

About 6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid

6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122057196) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
PubChem CID122057196
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCC(Nc1cccc(C(=O)O)n1)C(=O)NCCF
InChIInChI=1S/C11H14FN3O3/c1-7(10(16)13-6-5-12)14-9-4-2-3-8(15-9)11(17)18/h2-4,7H,5-6H2,1H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyIQDAROGVBSWPSO-UHFFFAOYSA-N
XLogP0.67
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 55053417
6-(pentan-3-ylamino)pyridine-2-carboxylic acid
CID 62253565
6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240571
6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid
CID 114417641
N-ethyl-2-[(6-methyl-2-pyridinyl)amino]propanamide
CID 61480114
6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 62240918
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid
CID 122047939
6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid
CID 122057810
6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62239044
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
CID 122057794

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid (CID 122057196) is 6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid is CC(Nc1cccc(C(=O)O)n1)C(=O)NCCF.
What is the InChIKey of 6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is IQDAROGVBSWPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-7(10(16)13-6-5-12)14-9-4-2-3-8(15-9)11(17)18/h2-4,7H,5-6H2,1H3,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid?
6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).