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

C14H17F2N3O3 — CID 146323240

IUPACN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCN1C(=O)CCCC1C(=O)Nc1cc(F)c(=O)n(CCF)c1
InChIInChI=1S/C14H17F2N3O3/c1-18-11(3-2-4-12(18)20)13(21)17-9-7-10(16)14(22)19(8-9)6-5-15/h7-8,11H,2-6H2,1H3,(H,17,21)
InChIKeyGDELIMISWOPCQB-UHFFFAOYSA-N
MW313.30 g/mol
LogP0.91
Rot. Bonds4

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

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-2-carboxamide (PubChem CID 146323240) has the molecular formula C14H17F2N3O3 and a molecular weight of 313.30 g/mol. Its IUPAC name is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-2-carboxamide
PubChem CID146323240
Molecular FormulaC14H17F2N3O3
Molecular Weight313.30 g/mol
Exact Mass313.12
IUPAC NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCN1C(=O)CCCC1C(=O)Nc1cc(F)c(=O)n(CCF)c1
InChIInChI=1S/C14H17F2N3O3/c1-18-11(3-2-4-12(18)20)13(21)17-9-7-10(16)14(22)19(8-9)6-5-15/h7-8,11H,2-6H2,1H3,(H,17,21)
InChIKeyGDELIMISWOPCQB-UHFFFAOYSA-N
XLogP0.91
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide
CID 137994880
5-Fluoro-1-(1-methylpiperidin-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449036
1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457248
1-[1-(2-Fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457490
1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 139373553
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 146323234
N-(1-ethyl-6-oxo-3-pyridinyl)-6-(trifluoromethyl)piperidine-2-carboxamide
CID 146323242
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(trifluoromethyl)piperidine-2-carboxamide
CID 146323243
N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 146323245
5-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]piperidine-2-carboxamide
CID 146323247
N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen
CID 153398173
6-Methyl-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
CID 60517226

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-2-carboxamide?
The IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-2-carboxamide (CID 146323240) is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-2-carboxamide?
The canonical SMILES for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-2-carboxamide is CN1C(=O)CCCC1C(=O)Nc1cc(F)c(=O)n(CCF)c1.
What is the InChIKey of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-2-carboxamide?
The InChIKey is GDELIMISWOPCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O3/c1-18-11(3-2-4-12(18)20)13(21)17-9-7-10(16)14(22)19(8-9)6-5-15/h7-8,11H,2-6H2,1H3,(H,17,21).
What are the key properties of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-2-carboxamide?
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-2-carboxamide has a molecular weight of 313.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146323240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).