3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide

C13H17FN4O2 — CID 64951471

IUPAC3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1ccncc1F
InChIInChI=1S/C13H17FN4O2/c1-17(9-12(19)18-6-4-15-5-7-18)13(20)10-2-3-16-8-11(10)14/h2-3,8,15H,4-7,9H2,1H3
InChIKeyDBRQPJVYTZFWRJ-UHFFFAOYSA-N
MW280.30 g/mol
LogP-0.28
Rot. Bonds3

About 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide

3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide (PubChem CID 64951471) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide
PubChem CID64951471
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC Name3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)c1ccncc1F
InChIInChI=1S/C13H17FN4O2/c1-17(9-12(19)18-6-4-15-5-7-18)13(20)10-2-3-16-8-11(10)14/h2-3,8,15H,4-7,9H2,1H3
InChIKeyDBRQPJVYTZFWRJ-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

2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454843
2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454543
5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454675
5-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 115736836
N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119454691
2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61018145
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone
CID 116559534
5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride
CID 119454701
2-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805865
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 43603186
N,3,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridazine-4-carboxamide
CID 104671306

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide (CID 64951471) is 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide is CN(CC(=O)N1CCNCC1)C(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide?
The InChIKey is DBRQPJVYTZFWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c1-17(9-12(19)18-6-4-15-5-7-18)13(20)10-2-3-16-8-11(10)14/h2-3,8,15H,4-7,9H2,1H3.
What are the key properties of 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide?
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-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 3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 64951471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).