5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide

C13H17FN4O2 — CID 115736836

IUPAC5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1cncc(F)c1
InChIInChI=1S/C13H17FN4O2/c1-17(9-12(19)18-4-2-15-3-5-18)13(20)10-6-11(14)8-16-7-10/h6-8,15H,2-5,9H2,1H3
InChIKeyNCFBKUJFCGYJJJ-UHFFFAOYSA-N
MW280.30 g/mol
LogP-0.28
Rot. Bonds3

About 5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide

5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 115736836) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide
PubChem CID115736836
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC Name5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1cncc(F)c1
InChIInChI=1S/C13H17FN4O2/c1-17(9-12(19)18-4-2-15-3-5-18)13(20)10-6-11(14)8-16-7-10/h6-8,15H,2-5,9H2,1H3
InChIKeyNCFBKUJFCGYJJJ-UHFFFAOYSA-N
XLogP-0.28
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 43603186
3-fluoro-N-methyl-5-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454706
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 64951471
4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454573
4-ethyl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454501
2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454543
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454797
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119454974
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119401548
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 119454837
3-bromo-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454891
2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454843

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide (CID 115736836) is 5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide is CN(CC(=O)N1CCNCC1)C(=O)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is NCFBKUJFCGYJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c1-17(9-12(19)18-4-2-15-3-5-18)13(20)10-6-11(14)8-16-7-10/h6-8,15H,2-5,9H2,1H3.
What are the key properties of 5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide?
5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 280.30 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 115736836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).