5-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]piperidine-2-carboxamide

C13H16ClF2N3O2 — CID 146323247

IUPAC5-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]piperidine-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)C1CCC(Cl)CN1
InChIInChI=1S/C13H16ClF2N3O2/c14-8-1-2-11(17-6-8)12(20)18-9-5-10(16)13(21)19(7-9)4-3-15/h5,7-8,11,17H,1-4,6H2,(H,18,20)
InChIKeyQJXRISPLSZUBRE-UHFFFAOYSA-N
MW319.74 g/mol
LogP1.25
Rot. Bonds4

About 5-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]piperidine-2-carboxamide

5-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]piperidine-2-carboxamide (PubChem CID 146323247) has the molecular formula C13H16ClF2N3O2 and a molecular weight of 319.74 g/mol. Its IUPAC name is 5-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]piperidine-2-carboxamide
PubChem CID146323247
Molecular FormulaC13H16ClF2N3O2
Molecular Weight319.74 g/mol
Exact Mass319.09
IUPAC Name5-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]piperidine-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)C1CCC(Cl)CN1
InChIInChI=1S/C13H16ClF2N3O2/c14-8-1-2-11(17-6-8)12(20)18-9-5-10(16)13(21)19(7-9)4-3-15/h5,7-8,11,17H,1-4,6H2,(H,18,20)
InChIKeyQJXRISPLSZUBRE-UHFFFAOYSA-N
XLogP1.25
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146323240
(2S)-N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyridine-2-carbonyl)piperidine-2-carboxamide
CID 132300618
6-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide
CID 146323250
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpiperidine-2-carboxamide
CID 146323506
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methyl-1-oxopiperidin-1-ium-2-carboxamide
CID 153397963
5,6-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-oxopiperidin-1-ium-2-carboxamide
CID 153398256
5,6-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide
CID 166024149
6-[2-(chloromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 108110771
6-[2-(2-chloroethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 108110777
N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide;hydrochloride
CID 119289595
N-(1-methyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide;hydrochloride
CID 119289618
N-(1-methyl-2-oxo-3-pyridinyl)piperidine-2-carboxamide;hydrochloride
CID 119323041

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]piperidine-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]piperidine-2-carboxamide (CID 146323247) is 5-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]piperidine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]piperidine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]piperidine-2-carboxamide is O=C(Nc1cc(F)c(=O)n(CCF)c1)C1CCC(Cl)CN1.
What is the InChIKey of 5-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]piperidine-2-carboxamide?
The InChIKey is QJXRISPLSZUBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2N3O2/c14-8-1-2-11(17-6-8)12(20)18-9-5-10(16)13(21)19(7-9)4-3-15/h5,7-8,11,17H,1-4,6H2,(H,18,20).
What are the key properties of 5-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]piperidine-2-carboxamide?
5-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]piperidine-2-carboxamide has a molecular weight of 319.74 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]piperidine-2-carboxamide is sourced from PubChem (CID 146323247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).