N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide

C14H17F2N3O3 — CID 146323232

IUPACN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1=O
InChIInChI=1S/C14H17F2N3O3/c1-18-4-2-9(6-12(18)20)13(21)17-10-7-11(16)14(22)19(8-10)5-3-15/h7-9H,2-6H2,1H3,(H,17,21)
InChIKeyHDNMNEQOWQCRDY-UHFFFAOYSA-N
MW313.30 g/mol
LogP0.76
Rot. Bonds4

About N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 146323232) 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-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide
PubChem CID146323232
Molecular FormulaC14H17F2N3O3
Molecular Weight313.30 g/mol
Exact Mass313.12
IUPAC NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1=O
InChIInChI=1S/C14H17F2N3O3/c1-18-4-2-9(6-12(18)20)13(21)17-10-7-11(16)14(22)19(8-10)5-3-15/h7-9H,2-6H2,1H3,(H,17,21)
InChIKeyHDNMNEQOWQCRDY-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 146323231
1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72050202
(4S)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 94066293
(4R)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 94066294
N-(6-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110724919
N-(1-methyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110725058
N-(2-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110727141
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110730377
N-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
CID 131961655
N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 146083921
N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 146122661
N-(1-methyl-2-oxo-3-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 146122957

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide (CID 146323232) is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1=O.
What is the InChIKey of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is HDNMNEQOWQCRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O3/c1-18-4-2-9(6-12(18)20)13(21)17-10-7-11(16)14(22)19(8-10)5-3-15/h7-9H,2-6H2,1H3,(H,17,21).
What are the key properties of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide?
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide has a molecular weight of 313.30 g/mol, XLogP of 0.76, 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-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 146323232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).