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

C13H15F2N3O3 — CID 146323235

IUPACN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1=O
InChIInChI=1S/C13H15F2N3O3/c1-17-6-8(4-11(17)19)12(20)16-9-5-10(15)13(21)18(7-9)3-2-14/h5,7-8H,2-4,6H2,1H3,(H,16,20)
InChIKeyDSBJBCSPQQVCED-UHFFFAOYSA-N
MW299.28 g/mol
LogP0.37
Rot. Bonds4

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

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 146323235) 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-3-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID146323235
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-3-carboxamide
SMILESCN1CC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1=O
InChIInChI=1S/C13H15F2N3O3/c1-17-6-8(4-11(17)19)12(20)16-9-5-10(15)13(21)18(7-9)3-2-14/h5,7-8H,2-4,6H2,1H3,(H,16,20)
InChIKeyDSBJBCSPQQVCED-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 146323235) is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(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-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DSBJBCSPQQVCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O3/c1-17-6-8(4-11(17)19)12(20)16-9-5-10(15)13(21)18(7-9)3-2-14/h5,7-8H,2-4,6H2,1H3,(H,16,20).
What are the key properties of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 299.28 g/mol, XLogP of 0.37, 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-3-carboxamide is sourced from PubChem (CID 146323235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).