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

C13H15F2N3O3 — CID 146323234

IUPACN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1C(=O)Nc1cc(F)c(=O)n(CCF)c1
InChIInChI=1S/C13H15F2N3O3/c1-17-10(2-3-11(17)19)12(20)16-8-6-9(15)13(21)18(7-8)5-4-14/h6-7,10H,2-5H2,1H3,(H,16,20)
InChIKeyCCRATXAVOOVMKR-UHFFFAOYSA-N
MW299.28 g/mol
LogP0.52
Rot. Bonds4

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

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 146323234) has the molecular formula C13H15F2N3O3 and a molecular weight of 299.28 g/mol. Its IUPAC name is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID146323234
Molecular FormulaC13H15F2N3O3
Molecular Weight299.28 g/mol
Exact Mass299.11
IUPAC NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1C(=O)Nc1cc(F)c(=O)n(CCF)c1
InChIInChI=1S/C13H15F2N3O3/c1-17-10(2-3-11(17)19)12(20)16-8-6-9(15)13(21)18(7-8)5-4-14/h6-7,10H,2-5H2,1H3,(H,16,20)
InChIKeyCCRATXAVOOVMKR-UHFFFAOYSA-N
XLogP0.52
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide
CID 72050188
N-(6-oxo-1-propyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 54862504
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146323240
(2R)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide
CID 146323396
(2S)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide
CID 146323398
(4R)-4-amino-1-{[2-hydroxy-6-(trifluoromethyl)pyridin-3-yl]carbonyl}-N-methyl-L-prolinamide
CID 56720268
(2S,4S)-4-amino-N-methyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 56721338
(2S)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide
CID 95976113
(2R)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide
CID 95976114
N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120348161
N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropyrrolidine-2-carboxamide
CID 120348162
4,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120348163

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 146323234) is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is CN1C(=O)CCC1C(=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-5-oxopyrrolidine-2-carboxamide?
The InChIKey is CCRATXAVOOVMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O3/c1-17-10(2-3-11(17)19)12(20)16-8-6-9(15)13(21)18(7-8)5-4-14/h6-7,10H,2-5H2,1H3,(H,16,20).
What are the key properties of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 299.28 g/mol, XLogP of 0.52, 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-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 146323234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).