5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide

C12H15FN4O2 — CID 104639214

IUPAC5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCC(=O)N1CCNCC1)c1ccc(F)cn1
InChIInChI=1S/C12H15FN4O2/c13-9-1-2-10(15-7-9)12(19)16-8-11(18)17-5-3-14-4-6-17/h1-2,7,14H,3-6,8H2,(H,16,19)
InChIKeyJTYXLEHJVHALJN-UHFFFAOYSA-N
MW266.28 g/mol
LogP-0.62
Rot. Bonds3

About 5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide

5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide (PubChem CID 104639214) has the molecular formula C12H15FN4O2 and a molecular weight of 266.28 g/mol. Its IUPAC name is 5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide
PubChem CID104639214
Molecular FormulaC12H15FN4O2
Molecular Weight266.28 g/mol
Exact Mass266.12
IUPAC Name5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCC(=O)N1CCNCC1)c1ccc(F)cn1
InChIInChI=1S/C12H15FN4O2/c13-9-1-2-10(15-7-9)12(19)16-8-11(18)17-5-3-14-4-6-17/h1-2,7,14H,3-6,8H2,(H,16,19)
InChIKeyJTYXLEHJVHALJN-UHFFFAOYSA-N
XLogP-0.62
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide
CID 61177598
1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 61177229
5-fluoro-N-[1-(3-oxo-3-piperazin-1-ylprop-1-en-2-yl)oxyethenyl]pyridine-2-carboxamide
CID 169248582
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61177799
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone
CID 112676097
3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736842
3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 107990145
3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61175305
2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736847
4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 63213553

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide (CID 104639214) is 5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide is O=C(NCC(=O)N1CCNCC1)c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide?
The InChIKey is JTYXLEHJVHALJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2/c13-9-1-2-10(15-7-9)12(19)16-8-11(18)17-5-3-14-4-6-17/h1-2,7,14H,3-6,8H2,(H,16,19).
What are the key properties of 5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide?
5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide has a molecular weight of 266.28 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 104639214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).